LeMaterial
/
LeMat-Bulk
elements
listlengths
1
9
nsites
int32
1
444
chemical_formula_anonymous
stringlengths
1
18
chemical_formula_reduced
stringlengths
1
23
chemical_formula_descriptive
stringlengths
2
34
nelements
int8
1
9
dimension_types
listlengths
3
3
nperiodic_dimensions
int8
3
3
lattice_vectors
listlengths
3
3
immutable_id
stringlengths
4
13
⌀
cartesian_site_positions
listlengths
1
444
species
stringlengths
138
1.25k
species_at_sites
listlengths
1
444
last_modified
stringlengths
19
19
elements_ratios
listlengths
1
9
stress_tensor
listlengths
0
3
energy
float64
-2,749.01
5.19k
magnetic_moments
listlengths
0
444
forces
listlengths
0
444
total_magnetization
float64
-340.3
383
⌀
dos_ef
float64
-14.23
392
⌀
functional
stringclasses
1 value
cross_compatibility
bool
1 class
entalpic_fingerprint
stringlengths
37
62
⌀
[ "Mn", "Ni", "P", "Sr" ]
5
A2BCD
MnNiP2Sr
Sr1 Mn1 Ni1 P2
4
[ 1, 1, 1 ]
3
[ [ 3.77297653, 0, 0 ], [ 0, 3.77297653, 0 ], [ -1.88648827, -1.88648826, 5.97405149 ] ]
agm005021607
[ [ 0, 0, 0 ], [ 1.8864882625, 2.500000095828625e-9, 2.987025745 ], [ -2.4999999848063226e-9, 1.8864882674999999, 2.987025745 ], [ 1.8864882446459261, 1.8864882476243092, 1.779301399634582 ], [ 1.5354074388569502e-8, 2.237569140180704e-8, 4.194750090365417 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Sr", "Mn", "Ni", "P", "P" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ -1.0100452, 0, 0 ], [ 0, -1.0100452, 0 ], [ 0, 0, -1.447608 ] ]
-31.500078
[ 0, -0.001, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00289668 ], [ 0, 0, 0.00289668 ] ]
-0.000681
2.44576
pbe
true
bcdefc1562f4b279fe4a2c51c6efaae7_119_Sr1Mn1Ni1P2
[ "Mn", "Ni", "Pt", "Se" ]
20
A6B2CD
MnNi2PtSe6
Mn2 Ni4 Pt2 Se12
4
[ 1, 1, 1 ]
3
[ [ 6.32521211, -0.25929084, -0.26908536 ], [ 1.62554909, 7.89379218, 0.32797632 ], [ 1.62554909, 0.03519687, 7.90052432 ] ]
agm004976943
[ [ 3.2068521175, 7.117398262082821, 0.94637549932476 ], [ 6.369458172500001, 0.5522999479171796, 7.01303978067524 ], [ 3.389134436849155, 6.117586281057598, 4.885662400481163 ], [ 3.024569798150845, 3.1437633476790237, 1.7995055448920367 ], [ 6.187175853150845, 1.5521119289424026, 3.0737528795188367 ], [ 6.551740491849155, 4.525934862320977, 6.159909735107963 ], [ 3.2068521174999995, 2.0355000008674424, 5.8432962588402395 ], [ 6.3694581725, 5.634198209132557, 2.11611902115976 ], [ 3.689600850539311, 7.657291518054768, 6.599310563393521 ], [ 2.7241033844606894, 1.4883559333467702, 0.19734808190915837 ], [ 5.886709439460688, 0.01240669194523228, 1.3601047166064784 ], [ 6.852206905539311, 6.18134227665323, 7.762067198090841 ], [ 4.44414543365552, 7.0248305018073305, 3.0563356414520944 ], [ 1.9695588013444798, 5.005456991634585, 0.9606818187043855 ], [ 5.13216485634448, 0.6448677081926699, 4.903079638547905 ], [ 7.60675148865552, 2.6642412183654156, 6.998733461295614 ], [ 7.636797495981307, 5.090758934899374, 4.238888590626639 ], [ 5.102118849018692, 3.4927464310554144, 2.5805123690298806 ], [ 1.9395127940186923, 2.578939275100626, 3.7205266893733606 ], [ 4.474191440981308, 4.176951778944587, 5.378902910970119 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Mn", "Mn", "Ni", "Ni", "Ni", "Ni", "Pt", "Pt", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.1, 0.2, 0.1, 0.6 ]
[ [ -1.6628464, 0.02696202, 0.02798049 ], [ 0.02696174, -1.5753697, 0.01018459 ], [ 0.0279802, 0.01018459, -1.5746143 ] ]
-100.880526
[ 3.047, 3.047, -0.159, -0.159, -0.159, -0.159, 0.019, 0.019, -0.07, -0.07, -0.07, -0.07, -0.067, -0.067, -0.067, -0.067, -0.002, -0.002, -0.002, -0.002 ]
[ [ 0, -0.00460045, 0.004433 ], [ 0, 0.00460045, -0.004433 ], [ -0.00704487, -0.00155383, 0.01153388 ], [ 0.00704487, -0.01158354, 0.0011253 ], [ 0.00704487, 0.00155383, -0.01153388 ], [ -0.00704487, 0.01158354, -0.0011253 ], [ 0, -0.00346907, 0.0033428 ], [ 0, 0.00346907, -0.0033428 ], [ -0.00068762, 0.00266577, 0.00006803 ], [ 0.00068762, 0.00003082, -0.00266646 ], [ 0.00068762, -0.00266577, -0.00006803 ], [ -0.00068762, -0.00003082, 0.00266646 ], [ 0.00388106, -0.00319904, -0.00100471 ], [ -0.00388106, 0.00088546, 0.00323407 ], [ -0.00388106, 0.00319904, 0.00100471 ], [ 0.00388106, -0.00088546, -0.00323407 ], [ 0.00136516, -0.0001143, -0.0040646 ], [ -0.00136516, 0.00405757, 0.00026486 ], [ -0.00136516, 0.0001143, 0.0040646 ], [ 0.00136516, -0.00405757, -0.00026486 ] ]
5.103024
13.501448
pbe
true
3b970b7e38f53357a54629a97cf3e571_15_Mn2Ni4Pt2Se12
[ "Cu", "Li" ]
5
A4B
CuLi4
Li4 Cu1
2
[ 1, 1, 1 ]
3
[ [ 4.09765524, 0, 0.42635664 ], [ 2.04882762, 2.03921866, 0.21317832 ], [ 1.02325499, 0, 10.06982411 ] ]
agm005543980
[ [ 3.239031894291142, 0, 8.678494572938886 ], [ 1.4203924409687891, 0, 6.253007381042576 ], [ 3.700517789031211, 0, 4.243173368957424 ], [ 1.881878335708858, 0, 1.817686177061115 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
[ "Li", "Li", "Li", "Li", "Cu" ]
2023-11-16 06:57:59
[ 0.2, 0.8 ]
[ [ -1.8403732, 0, 0.02390861 ], [ 0, -2.002846, 0 ], [ 0.02390861, 0, -2.0676694 ] ]
-11.734396
[ 0, 0, 0, 0, 0 ]
[ [ -0.00008438, 0, 0.00081096 ], [ 0.00035, 0, -0.00336384 ], [ -0.00035, 0, 0.00336384 ], [ 0.00008438, 0, -0.00081096 ], [ 0, 0, 0 ] ]
0
1.587822
pbe
true
7686ee4a2ee2d5d6cb5043ea17eb53a3_139_Li4Cu1
[ "Mn", "Ni", "Si", "Sm" ]
5
A2BCD
MnNiSi2Sm
Sm1 Mn1 Si2 Ni1
4
[ 1, 1, 1 ]
3
[ [ 3.98839519, 0, 0 ], [ 0, 3.98839519, 0 ], [ -1.9941976, -1.99419759, 4.91588898 ] ]
agm005018748
[ [ 0, 0, 0 ], [ 1.9941975925, 2.4999999848063226e-9, 2.45794449 ], [ 1.9941975936952527, 1.9941975963047476, 1.2827986730687304 ], [ -3.695252613370088e-9, 3.6952525417143316e-9, 3.63309030693127 ], [ -2.4999999848063226e-9, 1.9941975975, 2.45794449 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Sm", "Mn", "Si", "Si", "Ni" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ -1.4495834, 0, 0 ], [ 0, -1.4495834, 0 ], [ 0, 0, -1.4561682 ] ]
-33.880991
[ 0, 0.002, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00559207 ], [ 0, 0, -0.00559207 ], [ 0, 0, 0 ] ]
0.00132
3.458104
pbe
true
9148b34efc4cb6ed122868f6fca2b739_119_Sm1Mn1Si2Ni1
[ "Mn", "Np", "O", "Sr" ]
10
A6B2CD
MnNpO6Sr2
Sr2 Np1 Mn1 O6
4
[ 1, 1, 1 ]
3
[ [ 5.75340802, 0, 0 ], [ 2.87670401, 4.9825975, 0 ], [ 2.87670401, 1.66086583, 4.69763798 ] ]
agm002299266
[ [ 5.75340802, 3.3217316649999997, 2.34881899 ], [ 2.87670401, 1.6608658324999999, 1.174409495 ], [ 8.63011203, 4.9825974975, 3.5232284849999997 ], [ 0, 0, 0 ], [ 5.75340802, 5.026908069218433, 3.5545607907990036 ], [ 7.230134105811796, 2.469143461607434, 3.5545607907990036 ], [ 4.276681934188204, 4.1743198683925655, 1.1430771892009959 ], [ 7.230134105811796, 4.1743198683925655, 1.1430771892009959 ], [ 5.753408020000001, 1.6165552607815659, 1.1430771892009959 ], [ 4.276681934188204, 2.469143461607434, 3.5545607907990036 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Np", "Sr", "Sr", "Mn", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.1, 0.6, 0.2 ]
[ [ 1.0065567, 0, 0 ], [ 0, 1.0065567, 0 ], [ 0, 0, 1.0065567 ] ]
-77.026984
[ 1.397, 0.005, 0.005, 0.006, -0.03, -0.031, -0.031, -0.028, -0.03, -0.028 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00369088, -0.00260985 ], [ -0.0031964, 0.00184544, -0.00260985 ], [ 0.0031964, -0.00184544, 0.00260985 ], [ -0.0031964, -0.00184544, 0.00260985 ], [ 0, 0.00369088, 0.00260985 ], [ 0.0031964, 0.00184544, -0.00260985 ] ]
1.26735
7.431549
pbe
true
27b96442ad701afaacb5465a68d450ca_225_Sr2Np1Mn1O6
[ "Fe", "Mg" ]
4
A3B
Fe3Mg
Mg1 Fe3
2
[ 1, 1, 1 ]
3
[ [ 2.96351699, -0.00009687, -0.00096868 ], [ 0.00102894, 4.22140121, -0.00619638 ], [ -1.48313042, -2.11773576, 4.1657488 ] ]
agm002160584
[ [ 1.4812469525653504, -0.3554842032287642, 2.081074906757165 ], [ 1.4810289067672853, 1.752680323763, 4.022946871910879 ], [ 1.4824892555898324, 1.7581639687998654, 0.133063396910502 ], [ 0.0000018309138865730829, 1.755284282080136, 2.0785568830177463 ] ]
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Mg", "Fe", "Fe", "Fe" ]
2023-11-16 06:57:59
[ 0.75, 0.25 ]
[ [ 6.7370677, -0.12336396, 0.24765114 ], [ -0.12336339, 7.740433, -0.02497878 ], [ 0.24765155, -0.0249802, 7.88832 ] ]
-26.217997
[ -0.06, 2.418, 2.418, 2.276 ]
[ [ -0.00000203, 0.00046742, 0.00016063 ], [ -0.00192867, 0.00013954, 0.00002654 ], [ 0.00194593, -0.00062161, 0.00014428 ], [ -0.00001524, 0.00001465, -0.00033145 ] ]
6.789715
3.286156
pbe
true
eb223f4081788c32b4dea86751c0f9a5_12_Mg1Fe3
[ "In", "Tl" ]
4
AB
InTl
Tl2 In2
2
[ 1, 1, 1 ]
3
[ [ 17.47183362, 0, 0 ], [ -8.73591681, 15.13105177, 0 ], [ 0, 0, 3.02689086 ] ]
agm1000002479
[ [ 5.15228605123958, 5.293251204096378, 0.3798048212133168 ], [ 2.7925962871083008, 6.924006663649871, 1.8924856585820806 ], [ 6.125420796155319, 8.204242079009735, 1.889742387395663 ], [ 3.4015306602151383, 9.840603593244014, 0.3783064496997996 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]
[ "In", "In", "Tl", "Tl" ]
2023-11-16 06:57:59
[ 0.5, 0.5 ]
[ [ -0.11146794, -0.02637927, 0.00017818 ], [ -0.02637933, -0.07696906, 0.00319884 ], [ 0.00017818, 0.00319884, 0.61502993 ] ]
-8.834078
[ 0, 0, 0, 0 ]
[ [ 0.00321248, -0.00230794, -0.0007888 ], [ 0.00115416, -0.00033472, 0.00010543 ], [ -0.00366772, -0.00154732, 0.00069107 ], [ -0.00069892, 0.00418998, -0.0000077 ] ]
-0
2.248203
pbe
true
95dba81b5af8e354503cfc3a8ed253e8_6_Tl2In2
[ "Mn", "O", "P", "Pb" ]
38
A12B3C3D
Mn3O12P3Pb
Mn6 O24 P6 Pb2
4
[ 1, 1, 1 ]
3
[ [ 0, 0, -6.73854757 ], [ -5.23035708, 7.04808181, -3.36927429 ], [ 5.23035708, 7.04808181, -3.36927429 ] ]
mp-1202942
[ [ 2.61517854, 5.188691825371579, -5.053911049273404 ], [ 2.61517854, 8.907471794628423, -8.423185100726595 ], [ -2.61517854, 5.188691825371579, -5.053911049273405 ], [ -2.61517854, 8.907471794628423, -8.423185100726595 ], [ 0, 7.04808181, -3.36927429 ], [ 0, 0, -3.369273785 ], [ 0, 10.572122715, -9.469644460838413 ], [ 0, 3.524040905, -4.007451689161586 ], [ 2.6151785400000005, 8.079625531394525, -5.05391125641083 ], [ 2.6151785400000005, 6.016538088605476, -8.42318489358917 ], [ -2.6151785400000005, 8.079625531394525, -5.05391125641083 ], [ -2.6151785400000005, 6.016538088605476, -8.423184893589168 ], [ 0, 10.572122715, -5.960129708448466 ], [ 0, 3.524040905, -7.516966441551534 ], [ 0, 9.309779828384128, -10.355130019759557 ], [ 0, 4.786383791615873, -3.121966130240443 ], [ 0, 2.2616980183841275, -3.1219658819594622 ], [ 0, 11.834465601615873, -10.355130268040536 ], [ -1.2374673371284217, 10.572122715, -8.50634954391896 ], [ -1.2374673371284226, 3.524040905, -4.970746606081039 ], [ 1.2374673371284226, 3.524040905, -4.97074660608104 ], [ 1.2374673371284217, 10.572122715, -8.50634954391896 ], [ 3.063493419058691, 8.926420774017062, -10.595426362788647 ], [ 3.0634934190586907, 5.169742845982938, -2.8816697872113526 ], [ -2.166863660941309, 8.926420774017062, -6.250943841379959 ], [ -2.1668636609413094, 5.169742845982938, -7.226152308620041 ], [ -3.0634934190586907, 5.169742845982938, -2.8816697872113526 ], [ -3.063493419058691, 8.926420774017062, -10.595426362788647 ], [ 2.1668636609413094, 5.169742845982938, -7.226152308620041 ], [ 2.166863660941309, 8.926420774017062, -6.250943841379959 ], [ 1.4529631222707904, 7.042515446428917, -4.708661663659478 ], [ 1.4529631222707902, 7.053648173571084, -8.76843448634052 ], [ -3.7773939577292097, 7.042515446428916, -5.399160700542854 ], [ -3.7773939577292097, 7.053648173571084, -8.077935449457147 ], [ -1.4529631222707902, 7.053648173571084, -8.76843448634052 ], [ -1.4529631222707904, 7.042515446428917, -4.708661663659478 ], [ 3.7773939577292097, 7.053648173571084, -8.077935449457147 ], [ 3.7773939577292097, 7.042515446428916, -5.399160700542854 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]
[ "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "P", "P", "P", "P", "P", "P", "Pb", "Pb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2019-01-12 06:53:25
[ 0.15789473684210525, 0.631578947368421, 0.15789473684210525, 0.05263157894736842 ]
[ [ 2.28928077, 0, 0 ], [ 0, -2.19757381, 1.6e-7 ], [ 0, 1.6e-7, -0.83982616 ] ]
-281.569121
[ 4.641, 4.642, 4.642, 4.641, 4.042, 4.042, 0.017, 0.017, 0.016, 0.016, 0.016, 0.016, 0.005, 0.005, 0.035, 0.035, 0.035, 0.035, 0.028, 0.029, 0.028, 0.029, 0.015, 0.015, 0.015, 0.015, 0.015, 0.015, 0.015, 0.015, -0.026, -0.024, -0.024, -0.026, -0.026, -0.025, -0.024, -0.026 ]
[ [ 0, 0.06444791, 0 ], [ 0, -0.06444791, 0 ], [ 0, 0.06444791, 0 ], [ 0, -0.06444791, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.07191042 ], [ 0, 0, -0.07191042 ], [ 0, -0.03745014, 0 ], [ 0, 0.03745014, 0 ], [ 0, -0.03745014, 0 ], [ 0, 0.03745014, 0 ], [ 0, 0, -0.02751171 ], [ 0, 0, 0.02751171 ], [ 0, 0.00574477, -0.02104234 ], [ 0, -0.00574477, 0.02104234 ], [ 0, 0.00574477, 0.02104234 ], [ 0, -0.00574477, -0.02104234 ], [ 0.10434964, 0, -0.02630447 ], [ 0.10434964, 0, 0.02630447 ], [ -0.10434964, 0, 0.02630447 ], [ -0.10434964, 0, -0.02630447 ], [ -0.00092926, -0.00327051, 0.05343126 ], [ -0.00092926, 0.00327051, -0.05343126 ], [ -0.00092926, -0.00327051, -0.05343126 ], [ -0.00092926, 0.00327051, 0.05343126 ], [ 0.00092926, 0.00327051, -0.05343126 ], [ 0.00092926, -0.00327051, 0.05343126 ], [ 0.00092926, 0.00327051, 0.05343126 ], [ 0.00092926, -0.00327051, -0.05343126 ], [ 0.1310273, -0.00001007, -0.07553786 ], [ 0.1310273, 0.00001007, 0.07553786 ], [ 0.1310273, -0.00001007, 0.07553786 ], [ 0.1310273, 0.00001007, -0.07553786 ], [ -0.1310273, 0.00001007, 0.07553786 ], [ -0.1310273, -0.00001007, -0.07553786 ], [ -0.1310273, 0.00001007, -0.07553786 ], [ -0.1310273, -0.00001007, 0.07553786 ] ]
26.931
2.87281
pbe
true
24d12b545f06aeabcf2fcf870983130d_74_Mn6P6Pb2O24
[ "Mn", "O", "P", "Sb" ]
48
A16B4C3D
Mn3O16P4Sb
Mn6 O32 P8 Sb2
4
[ 1, 1, 1 ]
3
[ [ 5.04567457, 0.08563796, 6.15349361 ], [ 0.17560024, 10.06349797, -0.00008052 ], [ -5.04497317, -0.08576951, 6.15291197 ] ]
mp-1648760
[ [ 0.5485860860286602, 7.142015206356509, 4.6118317218335925 ], [ 0.5504144566049733, 7.143501922317912, 10.773431489874337 ], [ 3.195352190340016, 7.9872037788174115, 7.691583561330454 ], [ 2.285281034000598, 2.247118762101781, 4.593913960215043 ], [ -2.7603885786807187, 2.1619325196582055, 4.635262023305416 ], [ -1.9539266855724202, 7.862087938807658, 7.6912368167221175 ], [ -0.23596688741784222, 2.8950664063450047, 7.691672764549001 ], [ -0.1447003560446094, 2.847746070386427, 1.538270056420946 ], [ 0.6570275061338035, 6.055632701712006, 1.5382804752806472 ], [ 0.657753707917569, 6.131857362679886, 7.69143731205903 ], [ -3.1398211379387218, 0.7990609239211977, 7.6913293807318315 ], [ 2.0944948050488175, 1.0562462922320839, 7.691691233541225 ], [ 3.1109288213466697, 9.008757423772632, 4.606993973631786 ], [ -1.9342620355613802, 8.922583120764974, 4.622527110992158 ], [ -0.3980844109391688, 4.153228263747187, 10.887744026870145 ], [ -0.39851624116891093, 4.153486800264408, 4.495329565719613 ], [ 0.9935398861752296, 4.499563951171539, 1.5384222398834058 ], [ 1.006473118000601, 4.6273003763653895, 7.6911741296554155 ], [ 1.0850530501773112, 3.89650754123555, 4.5090528128943514 ], [ 1.0856999779109096, 3.8950750954401228, 10.873844585309765 ], [ 1.5806819961410157, 8.741165143883125, 4.606497279887282 ], [ -3.465021330814491, 8.655342896823742, 4.6227950429659 ], [ -3.263515994357304, 9.363829801710764, 7.691205624125727 ], [ 2.1422361427635352, 9.597098438016934, 7.691566401663426 ], [ 3.189276694196841, 0.4377006614367902, 4.615492936247919 ], [ -1.8558440308526025, 0.3512612403570241, 4.614413970874173 ], [ -1.6600058603757435, 1.0778511487559916, 7.69147577215433 ], [ 3.629144987663601, 1.3867353558635507, 7.69185232707796 ], [ -0.8907326014764552, 6.263666656423855, 7.691279560540639 ], [ -0.8753353902358106, 6.233131461723206, 1.5379528002440217 ], [ -0.6910421963190068, 5.661296490653341, 10.818279968359061 ], [ -0.691351500018496, 5.661972302447701, 4.564245379861769 ], [ -3.7041419711606105, 6.617060463580852, 6.460077449056747 ], [ 1.3097689733675026, 6.833286193854151, 6.46160520949193 ], [ 1.3410054497809774, 6.703267022118474, 2.768636419150806 ], [ 1.3101365025962841, 6.833640038447462, 8.920218614140069 ], [ -3.9216334659914702, 1.5945808375947215, 6.512897779793992 ], [ 1.3544100307743323, 1.7247802977568727, 6.489678515902572 ], [ 1.1232562549870924, 1.6803175315600352, 2.7167868220748974 ], [ 1.3545848645709282, 1.7246554411213457, 8.893768568585648 ], [ -1.2397622300373832, 8.24512907087562, 9.527282481121457 ], [ -1.2123566244288624, 8.217454590138155, 3.4041904585366742 ], [ 3.833432416765093, 8.302912850815042, 5.825346764263867 ], [ -1.239830956465023, 8.244738506388758, 5.855662757933517 ], [ -1.1902832684893685, 3.374624419594224, 9.800833486018988 ], [ -1.0979346825329093, 3.5232629537873654, 3.156710969469306 ], [ 3.9473279548549622, 3.6089507628749358, 6.073590424804431 ], [ -1.1901688102905403, 3.3751089478026954, 5.582428660978972 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
[ "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Sb", "Sb", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2020-06-03 19:54:38
[ 0.125, 0.6666666666666666, 0.16666666666666666, 0.041666666666666664 ]
[ [ -0.09936975, 0.04936171, -0.01904533 ], [ 0.04941343, -0.57277533, 0.04031704 ], [ -0.01904773, 0.04031756, -0.40236286 ] ]
-348.014856
[ -3.933, -3.933, -3.917, 4.633, 4.633, 3.991, 0.006, 0.007, -0.008, -0.002, 0.007, 0.003, 0, 0, 0.004, 0.004, 0.014, -0.021, 0.016, 0.016, 0.04, 0.04, -0.027, 0.016, 0.032, 0.032, 0.001, 0.002, -0.046, 0.028, 0.027, 0.026, 0.024, 0.001, 0.024, 0.001, 0.013, 0.017, 0.013, 0.017, -0.026, 0.005, 0.005, -0.027, 0.018, 0.01, 0.01, 0.018 ]
[ [ 0.03139046, 0.03276416, -0.01290108 ], [ -0.00548956, -0.01335457, -0.01524328 ], [ 0.02361349, 0.00015667, -0.00230865 ], [ -0.01552968, 0.01047621, -0.00449212 ], [ -0.00423436, -0.00750713, 0.00901779 ], [ 0.01927936, -0.02154534, 0.00668843 ], [ 0.00711058, -0.00241854, -0.00121822 ], [ 0.00114995, 0.00176666, -0.00122622 ], [ -0.0027614, -0.00080153, -0.00144484 ], [ 0.00354616, -0.00094667, -0.00514281 ], [ 0.00316577, 0.00660318, -0.00044465 ], [ 0.0031902, 0.01582887, -0.00249273 ], [ 0.00076074, -0.00557268, 0.00516181 ], [ 0.00056183, -0.00201386, 0.00675665 ], [ 0.01043292, -0.01744187, 0.00422675 ], [ 0.00648173, -0.01193711, -0.00657933 ], [ -0.00031432, 0.00392364, -0.00069879 ], [ -0.00844143, 0.00205717, 0.0013811 ], [ 0.00910309, -0.01013283, -0.01109503 ], [ -0.01586215, 0.00588246, 0.01195503 ], [ -0.02046181, -0.0269593, 0.00837154 ], [ 0.00208195, -0.00827211, -0.00228898 ], [ -0.00529276, 0.01543351, -0.00125981 ], [ 0.01338696, 0.00365028, -0.00028052 ], [ -0.00763939, -0.02906409, 0.00430154 ], [ -0.01396992, -0.01100215, -0.00218426 ], [ -0.01328748, -0.00990425, -0.00026065 ], [ -0.01086124, 0.01607751, -0.00017898 ], [ -0.00434432, 0.01241353, 0.0002149 ], [ 0.01142713, 0.01880673, 0.00074765 ], [ 0.00746882, 0.01976215, -0.0035617 ], [ -0.01314314, -0.00393246, 0.00483903 ], [ -0.001795, -0.00701769, 0.01638667 ], [ -0.01126913, -0.02072872, 0.02248684 ], [ -0.00589248, -0.00516111, -0.0088459 ], [ -0.00792412, -0.01192261, -0.00563822 ], [ 0.00568949, -0.00492983, 0.01495056 ], [ 0.00646396, 0.00736799, 0.01636308 ], [ 0.00452312, -0.00393825, -0.01463742 ], [ 0.00439139, 0.00686702, -0.01737805 ], [ -0.0105821, 0.00507594, 0.00588729 ], [ -0.00815094, 0.00252559, 0.0170219 ], [ -0.01254251, 0.01148196, -0.01749033 ], [ -0.0202272, 0.00887728, -0.02130029 ], [ 0.01701945, 0.00421178, 0.02242458 ], [ 0.00720735, 0.0123651, -0.00073981 ], [ 0.01153076, 0.01078248, 0.00290578 ], [ 0.00903977, 0.00134686, -0.02075623 ] ]
1.814
2.441493
pbe
true
e6310cb153983db2b2c712ab2b117b12_8_Mn6Sb2P8O32
[ "Mn", "O", "P", "Sn" ]
34
A24B6C3D
Mn3O24P6Sn
Mn3 O24 P6 Sn1
4
[ 1, 1, 1 ]
3
[ [ 8.62350299, 0.01499537, 0.01058384 ], [ 4.35582154, 7.44256979, 0.0105838 ], [ 4.35582152, 2.50273594, 7.00915605 ] ]
mp-778517
[ [ 2.453529549483829, 1.4097310169824782, 0.9950367228576762 ], [ 6.205968071080239, 3.565779626353098, 2.5168501161545738 ], [ 11.120217268575056, 6.389372894405302, 4.509839529226828 ], [ 14.939942506267462, 8.584082611701593, 6.058941264532934 ], [ 8.62553851075379, 3.5081724418649713, 0.2875164477277576 ], [ 5.593063019742295, 6.723706166821597, 3.209247748888375 ], [ 7.374714778230896, 2.1750507337092095, 5.2604740033416135 ], [ 8.741098769095291, 6.3568003695623405, 6.77315023866785 ], [ 9.893933334678326, 7.839032596347154, 1.8305569676423048 ], [ 11.755058327033002, 3.2654823454237274, 3.7210907550512404 ], [ 4.617214406791384, 3.535568011361077, 3.489931062765752 ], [ 5.379757974274529, 4.028032181216094, 0.9119710789497559 ], [ 5.695321315016203, 7.500709472625837, 1.8700160525252187 ], [ 6.189236765898252, 1.7365531667501501, 2.1624665280942774 ], [ 6.302189022828043, 7.436935970553156, 4.354753951158013 ], [ 6.388449732189399, 5.411324703340395, 3.009297549478848 ], [ 6.560867274321596, 2.7678270323649734, 6.441152141927467 ], [ 7.232761895089367, 3.1784574341832514, 4.090863071650972 ], [ 7.718048835550438, 5.225964851954855, 6.964654578144958 ], [ 7.892293148979633, 3.771289679798698, 1.6247097576494551 ], [ 8.066834737216876, 7.729884460726131, 6.642600676913872 ], [ 8.401751819059344, 7.914190460832477, 1.4702243007241849 ], [ 8.870696258182443, 2.123816977361445, 5.548840994440227 ], [ 9.348314782541088, 2.1448206181168423, 0.45060695459516414 ], [ 9.46169097120088, 6.016363510751333, 5.446853769029488 ], [ 9.598842363937688, 4.672404672979957, 0.14265809445082447 ], [ 9.962715073285272, 6.855273931248227, 3.0229078629819552 ], [ 10.740620018395868, 7.289313627365333, 0.6738521918602518 ], [ 10.939796599263774, 4.574803454479954, 3.8445374548610163 ], [ 11.06851482353529, 2.481507624636571, 2.591429053344498 ], [ 11.098108564409598, 8.251818285220576, 4.986167155651954 ], [ 11.706536724720184, 2.513307379720886, 5.058593557825939 ], [ 12.035745915706203, 5.830097030599172, 6.105175740093518 ], [ 12.718109692666474, 6.517643358641139, 3.4485353567912274 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mn", "Mn", "Mn", "Sn", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-23 15:26:58
[ 0.08823529411764706, 0.7058823529411765, 0.17647058823529413, 0.029411764705882353 ]
[]
-237.237851
[ 3.204, 3.035, 3.227, 0.003, 0.013, 0.013, 0.013, 0.009, 0.009, 0.009, -0.038, -0.033, -0.203, -0.038, -0.029, -0.181, -0.198, -0.175, -0.048, -0.181, -0.08, -0.053, -0.03, -0.214, -0.153, -0.03, -0.163, -0.082, -0.165, -0.048, -0.061, -0.085, -0.063, -0.062 ]
[]
7.122
0.428754
pbe
true
bc872569281a4dcd03e23b81d2574daf_146_Mn3Sn1P6O24
[ "Mn", "O", "P", "Sr" ]
68
A11B3C2D
MnO11P3Sr2
Mn4 O44 P12 Sr8
4
[ 1, 1, 1 ]
3
[ [ 6.65826563, 0, -1.1067062 ], [ 0, 6.93752759, 0 ], [ 0.00395429, 0, 19.44125887 ] ]
mp-559244
[ [ 4.412343163794461, 0.2986361426523832, 14.180436018522661 ], [ 2.1270408159470238, 4.447789769759077, 7.950055806369656 ], [ 4.535179104052976, 2.489737820240923, 10.384496863630343 ], [ 2.2518539012055387, 3.7673999376523835, 13.874746086477336 ], [ 4.533201959052977, 0.979025974759077, 0.6638674286303428 ], [ 2.249876756205539, 6.638891447347617, 4.154116651477336 ], [ 2.1290179609470234, 5.958501615240923, 17.670685241369657 ], [ 4.410366018794461, 3.1701276523476167, 4.459806583522663 ], [ 6.39717829391411, 4.364422402588634, 1.338096910096829 ], [ 0.26504162608588966, 2.5731051874113664, 16.99645575990317 ], [ 0.2630644810858897, 0.8956586075886337, 7.2758263249031705 ], [ 6.39915543891411, 6.0418689824113665, 11.058726345096828 ], [ 1.1837452468064757, 0.3035123920448424, 14.798989213963358 ], [ 1.1870767309955725, 2.151451418027585, 0.6403486209096546 ], [ 5.478474673193524, 6.634015197955158, 3.53556345603664 ], [ 3.7233075427221833, 2.512719906638868, 17.035290560593904 ], [ 2.938912377277816, 4.4248076833611325, 1.2992621094060952 ], [ 5.475143189004426, 4.786076171972415, 17.694204049090345 ], [ 2.940889522277816, 5.981483701638868, 11.019891544406093 ], [ 5.473166044004427, 5.620215213027585, 7.973574614090345 ], [ 1.1890538759955724, 1.3173123769724149, 10.360978055909653 ], [ 1.1817681018064758, 3.1652514029551577, 5.078359778963359 ], [ 5.480451818193524, 3.772276187044842, 13.256192891036639 ], [ 3.7213303977221837, 0.9560438883611323, 7.314661125593903 ], [ 4.59170292303582, 3.477009185291267, 18.054768260445353 ], [ 1.9732937333632854, 4.72968531146041, 2.45523477519998 ], [ 1.9752708783632855, 5.67660607353959, 12.175864210199979 ], [ 0.5183964603447738, 0.7882599917228099, 16.160011753113512 ], [ 2.481170602106439, 0.1521899996226239, 6.885568457156164 ], [ 4.593138191610367, 5.5858481582275195, 4.186447800776455 ], [ 3.3911347325446997, 2.1639819109853673, 8.175411177596512 ], [ 0.0031394295571385, 2.617706205411097, 1.5478669860104863 ], [ 4.58972577803582, 6.929282199708733, 8.334138825445352 ], [ 2.050481070080489, 1.120693132533189, 1.3119865288589005 ], [ 4.6889261866367145, 2.2078422785395895, 15.87931789480002 ], [ 4.609761704919511, 4.589456927533189, 7.301936706141099 ], [ 2.0724941419641794, 0.0082453902912668, 10.000413844554645 ], [ 2.036908130220334, 6.011148083986777, 15.167334738921465 ], [ 3.3931118775447, 1.3047818840146328, 17.89604061259651 ], [ 0.061954799743550795, 0.0796952644417804, 5.515473258315068 ], [ 4.181049317893561, 6.785337590377376, 11.448984212843834 ], [ 2.052458215080489, 2.3480706624668115, 11.0326159638589 ], [ 0.6124432985604994, 1.6706351764843188, 18.722546167822692 ], [ 6.659080490442861, 4.319821384588904, 16.78668568398951 ], [ 4.595115336610367, 4.820443226772481, 13.907077235776455 ], [ 0.5164193153447739, 2.68050380327719, 6.4393823181135135 ], [ 2.0671045833896335, 2.117084363227519, 4.427475434223544 ], [ 4.625311789779666, 0.9263795060132235, 3.1672179310785333 ], [ 3.2710851874553, 4.7735456790146324, 10.159141492403487 ], [ 2.0705169969641792, 3.460518404708733, 0.27978440955464634 ], [ 6.143823459655226, 6.1492675982771905, 2.1745409168864858 ], [ 6.0517537664395, 5.13939897148432, 9.332635937177306 ], [ 2.034930985220334, 4.395143301013223, 5.4467053039214655 ], [ 6.600265120256449, 6.8578323255582205, 12.81907941168493 ], [ 3.2691080424553003, 5.632745705985368, 0.4385120574034868 ], [ 0.0639319447435508, 3.3890685305582195, 15.236102693315068 ], [ 4.686949041636714, 1.2609215164604108, 6.158688459800018 ], [ 2.483147747106439, 3.3165737953773764, 16.606197892156164 ], [ 0.0051165745571385, 0.8510506520613133, 11.268496421010486 ], [ 6.657103345442861, 6.086470000411096, 7.066056248989513 ], [ 4.627288934779666, 2.5423842889867765, 12.887847366078534 ], [ 4.1790721728935605, 3.6209537946226242, 1.7283547778438353 ], [ 6.145800604655226, 4.25702378672281, 11.895170351886485 ], [ 6.598287975256449, 3.54845905944178, 3.0984499766849307 ], [ 4.611738849919511, 5.816834457466811, 17.0225661411411 ], [ 0.6104661535604994, 1.7981286185156813, 9.001916732822693 ], [ 6.0497766214395, 5.266892413515681, -0.387993497822694 ], [ 2.0690817283896332, 1.3516794317724812, 14.148104869223541 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Mn", "Mn", "Mn", "Mn", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-27 08:41:21
[ 0.058823529411764705, 0.6470588235294118, 0.17647058823529413, 0.11764705882352941 ]
[]
-497.128381
[ 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 3.933, 3.933, 3.933, 3.933, 0.006, 0.007, 0.006, 0.005, 0.005, 0.007, 0.005, 0.007, 0.007, 0.006, 0.006, 0.005, 0.001, 0.034, 0.034, -0.04, 0.029, 0.001, 0.002, -0.019, 0.001, -0.016, 0.034, -0.016, 0.001, -0.008, 0.002, -0.03, 0.029, -0.016, -0.028, -0.019, 0.001, -0.04, 0.001, -0.008, 0.002, 0.001, -0.04, -0.028, -0.008, -0.03, 0.002, -0.03, 0.034, 0.029, -0.019, -0.019, -0.008, 0.029, -0.04, -0.03, -0.016, -0.028, -0.028, 0.001 ]
[]
15.516
1.750775
pbe
true
7a5874098f3c9b19c7e4ccd6cd9c009b_14_Sr8Mn4P12O44
[ "Mn", "O", "P", "Zn" ]
44
A14B4C3D
Mn3O14P4Zn
Mn6 O28 P8 Zn2
4
[ 1, 1, 1 ]
3
[ [ 6.93280728, 0, -2.93781228 ], [ 0, 7.54191504, 0 ], [ -0.08104142, 0, 9.90185022 ] ]
mp-1043615
[ [ 1.2861256454625378, 6.629617770448306, 4.633580853436818 ], [ 5.525119504537462, 2.8586602504483056, 7.2813821965631815 ], [ 5.565640214537462, 0.9122972695516944, 2.3304570865631824 ], [ 1.3266463554625378, 4.683254789551694, -0.317344256563182 ], [ 0, 0, 0 ], [ -0.04052071, 3.77095752, 4.95092511 ], [ 3.46640364, 0, -1.46890614 ], [ 3.4258829299999998, 3.77095752, 3.48201897 ], [ 4.0467956759146935, 0.6685280949820176, 5.208546421529069 ], [ 2.764449474085307, 4.439485614982018, 6.706416628470931 ], [ 2.804970184085307, 6.873386945017983, 1.755491518470931 ], [ 4.0873163859146935, 3.1024294250179825, 0.25762131152906875 ], [ 5.84539669895036, 5.951477429328658, 4.259537649558596 ], [ 0.9658484510496403, 2.1805199093286576, 7.655425400441404 ], [ 1.0063691610496404, 1.5904376106713425, 2.7045002904414037 ], [ 5.88591740895036, 5.361395130671342, -0.6913874604414039 ], [ 5.339282230293208, 4.628143980037354, 3.6456340169470725 ], [ 1.4719629197067907, 0.8571864600373535, 8.269329033052928 ], [ 1.5124836297067907, 2.913771059962646, 3.318403923052927 ], [ 5.379802940293208, 6.684728579962647, -1.3052910930529271 ], [ 1.8627804765127107, 4.690567958308532, 5.461071349608972 ], [ 4.948464673487289, 0.9196104383085313, 6.453891700391028 ], [ 4.988985383487289, 2.851347081691469, 1.5029665903910285 ], [ 1.9033011865127107, 6.622304601691469, 0.5101462396089713 ], [ 4.271373667672359, 1.71199397381364, 4.106413448689353 ], [ 2.539871482327641, 5.4829514938136406, 7.808549601310647 ], [ 2.580392192327641, 5.82992106618636, 2.857624491310647 ], [ 4.311894377672359, 2.05896354618636, -0.8445116613106473 ], [ 4.512544534622456, 6.7804272611328535, 4.600747020815084 ], [ 2.298700615377544, 3.0094697411328526, 7.314216029184916 ], [ 2.3392213253775442, 0.7614877788671471, 2.363290919184916 ], [ 4.553065244622456, 4.532445298867147, -0.3501780891849165 ], [ 2.668300281064463, 3.3841241752344047, 0.6894471325204224 ], [ 4.223986288935536, 7.155081695234405, 1.3236656974795777 ], [ 4.183465578935536, 4.157790864765595, 6.274590807479577 ], [ 2.627779571064463, 0.38683334476559517, 5.640372242520423 ], [ 0.22387923017030117, 1.6691354577966817, 1.3908809928977748 ], [ 6.668407339829699, 5.440092977796681, 0.6222318371022246 ], [ 6.627886629829699, 5.872779582203319, 5.573156947102225 ], [ 0.18335852017030116, 2.1018220622033184, 6.341806102897775 ], [ 6.6460185060379295, 4.548204356600678, -1.7488944707909098 ], [ 0.24626806396207057, 0.7772468366006784, 3.762007300790909 ], [ 0.20574735396207056, 2.9937106833993217, 8.71293241079091 ], [ 6.6054977960379295, 6.764668203399322, 3.2020306392090907 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Zn", "Zn", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2017-12-04 05:02:30
[ 0.13636363636363635, 0.6363636363636364, 0.18181818181818182, 0.045454545454545456 ]
[]
-319.067478
[ 4.667, 4.667, 4.667, 4.667, 4.668, 4.668, 0.005, 0.005, 0.012, 0.012, 0.012, 0.012, 0.015, 0.015, 0.015, 0.015, 0.015, 0.016, 0.015, 0.016, 0.03, 0.029, 0.03, 0.029, 0.014, 0.014, 0.014, 0.014, 0.008, 0.008, 0.008, 0.008, 0.017, 0.018, 0.017, 0.018, 0.029, 0.029, 0.029, 0.029, 0.034, 0.034, 0.034, 0.034 ]
[]
28.712
2.674173
pbe
true
d1c1ee58f6115b3585567a163c8b5d3e_14_Mn6Zn2P8O28
[ "Pb", "Rh", "Zr" ]
3
ABC
PbRhZr
Zr1 Rh1 Pb1
3
[ 1, 1, 1 ]
3
[ [ 6.17853764, -0.00326829, 0.00353284 ], [ 5.28264218, 3.20444478, 0.00412695 ], [ 0.89589613, 0.24976151, 3.19797489 ] ]
agm004326823
[ [ 11.360696470756679, 3.1731064380355645, 0.038001951724721 ], [ 4.226229915286612, 1.1800911926377042, 2.19234035381652 ], [ 8.231329383956707, 2.298916859326732, 0.9829521644587589 ] ]
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Pb", "Rh", "Zr" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 7.800792, -0.02908915, 0.01902502 ], [ -0.02908053, 7.8593674, -0.00534942 ], [ 0.019033, -0.00534459, 7.8671565 ] ]
-20.526211
[ 0, 0, 0 ]
[ [ 0.00575024, 0.00145311, -0.0018781 ], [ -0.00638711, -0.00163174, 0.00206975 ], [ 0.00063687, 0.00017863, -0.00019164 ] ]
-0.000015
3.87462
pbe
true
10885bfc45b316e9099ca65bcfad213d_107_Zr1Rh1Pb1
[ "La", "Pd" ]
5
A4B
LaPd4
La1 Pd4
2
[ 1, 1, 1 ]
3
[ [ 5.07144181, 0, 0 ], [ 0, 5.07144181, 0 ], [ 0, 0, 5.07144181 ] ]
agm006185970
[ [ 0, 0, 0 ], [ 2.535720905, 0, 2.535720905 ], [ 0, 2.535720905, 2.535720905 ], [ 2.535720905, 2.535720905, 0 ], [ 2.535720905, 2.535720905, 2.535720905 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "Pd", "Pd", "Pd", "Pd", "La" ]
2023-11-16 06:57:59
[ 0.2, 0.8 ]
[ [ 4.221202, 0, 0 ], [ 0, 4.221202, 0 ], [ 0, 0, 4.221202 ] ]
-22.041631
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000001
2.185098
pbe
true
777d9ad84af15db843c69153a45bbfc1_221_La1Pd4
[ "Mn", "O", "Pb", "Se" ]
20
A12B4C3D
Mn3O12PbSe4
Mn3 Pb1 Se4 O12
4
[ 1, 1, 1 ]
3
[ [ 6.79134452, -0.06657781, -0.09249475 ], [ -1.70094558, 6.57522449, -0.09249475 ], [ -1.70094558, -2.17484993, 6.20581664 ] ]
agm004707469
[ [ 3.226522147213038, 2.721462301190726, -0.09249475 ], [ 1.8638767927869622, -1.2898571267867656, 3.561964264555248 ], [ -1.70094558, 2.9021915755960395, 2.551357625444752 ], [ 0, 0, 0 ], [ 5.056066478621476, -0.461998441132748, 3.01041357 ], [ -1.666613118621476, 1.3324215848959884, 5.503352987992557 ], [ 1.6947266799999998, 5.630271981236759, 0.5174741520074436 ], [ 1.69472668, 2.1668983749999997, 3.01041357 ], [ 1.6947266799999998, 0.5913719625367553, 4.144478890196796 ], [ 5.451996320582002, 3.099667597116124, 0.22383257783878832 ], [ -2.062542960582003, 5.105451091249969, 3.01041357 ], [ 1.6947266799999998, -1.7044235633660927, 5.796994562161212 ], [ 1.9000475862384207, -0.43994692134292085, 1.6071489277252375 ], [ 1.1568655393247655, 2.244923917463055, 0.09295437714967321 ], [ -0.8847895321827127, 0.9723269434126462, 2.158330281141296 ], [ 1.4894057737615782, 2.670113954823833, 5.927872762850327 ], [ 4.274242892182713, 2.5957283939026388, 4.413678212274763 ], [ 2.232587820675235, 4.958243961740748, 3.862496858858704 ], [ 3.223836800968563, 2.5465109645943955, 1.8763482498032042 ], [ 0.1656165590314369, 3.3628121978688483, 3.01041357 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]
[ "Mn", "Mn", "Mn", "Pb", "Se", "Se", "Se", "Se", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.15, 0.6, 0.05, 0.2 ]
[ [ 0.93943906, 0.05406773, 0.07511484 ], [ 0.05406773, 0.96628445, 0.09604276 ], [ 0.07511484, 0.09604276, 1.0305824 ] ]
-115.84459
[ 4.259, 4.259, 4.259, -0.005, 0.026, 0.026, 0.026, 0.086, -0.113, -0.001, -0.001, -0.001, -0.007, -0.007, -0.007, -0.007, -0.007, -0.007, -0.113, -0.113 ]
[ [ -0.00206646, 0.00161618, 0 ], [ 0.00206646, 0.00051301, -0.00153259 ], [ 0, -0.00212919, 0.00153259 ], [ 0, 0, 0 ], [ 0.00015066, -0.00011783, 0 ], [ -0.00015066, -0.0000374, 0.00011174 ], [ 0, 0.00015524, -0.00011174 ], [ 0, 0, 0 ], [ 0, 0.00108292, -0.00077949 ], [ 0.00113514, 0.00028181, -0.00084187 ], [ -0.00113514, 0.00088779, 0 ], [ 0, -0.00116959, 0.00084187 ], [ -0.0002228, -0.00134245, -0.00145439 ], [ -0.00087129, -0.00044587, -0.00173469 ], [ -0.00124922, -0.00120786, -0.00097344 ], [ 0.0002228, 0.00095305, 0.00173469 ], [ 0.00124922, 0.00053969, 0.00145439 ], [ 0.00087129, 0.00150344, 0.00097344 ], [ -0.00105102, -0.00026092, 0.00077949 ], [ 0.00105102, -0.000822, 0 ] ]
13.017599
4.043097
pbe
true
7e8b5aa9e102433945809e0fd8f12c4a_155_Mn3Pb1Se4O12
[ "Mn", "O", "Pm", "Se" ]
10
A2BCD
MnO2PmSe
Pm2 Mn2 Se2 O4
4
[ 1, 1, 1 ]
3
[ [ 5.4584753, 0, 0 ], [ 0, 5.51571088, 0 ], [ 0, -2.75785544, 5.85921362 ] ]
agm004988134
[ [ 1.364618825, 2.75785544, 1.4992080042710056 ], [ 4.093856475, 1.1002448059882682e-16, 4.360005615728994 ], [ 1.364618825, 2.7578554399999997, 5.704775529929861 ], [ 4.093856475, -5.014831846308709e-18, 0.1544380900701392 ], [ 4.093856475, 2.75785268214456, 3.026013373429301 ], [ 1.364618825, 0.0000027578554398524172, 2.833200246570699 ], [ 2.72923765, -1.410860431725781, 5.85921362 ], [ 0, 4.168715871725781, 0 ], [ 2.72923765, 4.168715871725781, 0 ], [ 0, -1.410860431725781, 5.85921362 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "Pm", "Pm", "Mn", "Mn", "Se", "Se", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 0.45956093, 0, 0 ], [ 0, 0.75068843, 0 ], [ 0, 0, 0.7728175 ] ]
-71.501341
[ 0.019, 0.019, 3.807, 3.807, 0.055, 0.055, -0.024, -0.024, -0.024, -0.024 ]
[ [ 0, 0, 0.00472038 ], [ 0, 0, -0.00472038 ], [ 0, 0, 0.00619163 ], [ 0, 0, -0.00619163 ], [ 0, 0, -0.00019962 ], [ 0, 0, 0.00019962 ], [ 0, -0.0039538, 0 ], [ 0, 0.0039538, 0 ], [ 0, 0.0039538, 0 ], [ 0, -0.0039538, 0 ] ]
8.001268
-0.097023
pbe
true
273f9a706bdf441000c089548ad04647_63_Pm2Mn2Se2O4
[ "Pm", "Pt", "Tl" ]
4
A2BC
PmPt2Tl
Pm1 Tl1 Pt2
3
[ 1, 1, 1 ]
3
[ [ 3.80306183, 0, 0 ], [ 0, 4.74420809, 0 ], [ 0, 0, 4.74420809 ] ]
agm001219994
[ [ 1.901530915, 0, 0 ], [ 0, 0, 2.372104045 ], [ 0, 2.372104045, 0 ], [ 1.901530915, 2.372104045, 2.372104045 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Tl", "Pt", "Pt", "Pm" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 4.327574, 0, 0 ], [ 0, 4.124118, 0 ], [ 0, 0, 4.124118 ] ]
-21.530317
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
1.848728
pbe
true
09979dcfb690760774fa3cf987425091_123_Pm1Tl1Pt2
[ "Cd", "Ta", "W" ]
4
A2BC
Cd2TaW
Ta1 Cd2 W1
3
[ 1, 1, 1 ]
3
[ [ 5.14122625, 0.00755038, 0 ], [ 1.71649683, 4.84622565, 0 ], [ -3.42886269, -2.42688882, 2.96401346 ] ]
agm004086332
[ [ 0, 0, 0 ], [ 0.8582478400000002, 2.4231124225, 1.48200673 ], [ 2.5706125500000003, 0.003774787500000043, 1.48200673 ], [ 3.4288615399999998, 2.426888015, 0 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Cd", "Cd", "W", "Ta" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 5.9973598, -0.05583895, -0.00000234 ], [ -0.05583895, 6.036731, -0.00000166 ], [ -0.00000234, -0.00000166, 6.0762444 ] ]
-24.210334
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000001
2.055369
pbe
true
f0fdd28f2fbba8b4b56bb5372bd64c1f_119_Ta1Cd2W1
[ "Ge", "Sc", "Tb" ]
10
A3BC
Ge3ScTb
Tb2 Sc2 Ge6
3
[ 1, 1, 1 ]
3
[ [ 6.08781794, 0, 0 ], [ 0, 6.36622729, 0 ], [ 0, -3.18311365, 5.51331456 ] ]
agm002314733
[ [ 3.04390897, 0, 0 ], [ 0, 0, 0 ], [ 4.565863455, 3.183113642015385, 3.2910238260337157 ], [ 1.521954485, -1.2585534189901724, 4.402169193016857 ], [ 4.565863455, 4.441667058990173, 1.1111453669831424 ], [ 1.521954485, -2.0153853488171633e-9, 2.2222907339662847 ], [ 1.521954485, 1.258553411005558, 4.402169193016857 ], [ 4.565863455, 1.9245602289944423, 1.1111453669831424 ], [ 4.565863455, -3.516447009136834e-8, 3.6755430583777158 ], [ 1.521954485, 3.18311367516447, 1.8377715016222849 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "Sc", "Sc", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Tb", "Tb" ]
2023-11-16 06:57:59
[ 0.6, 0.2, 0.2 ]
[ [ 2.304754, 0, 0 ], [ 0, 2.311037, 0 ], [ 0, 0, 2.311037 ] ]
-55.277595
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00259031 ], [ 0, -0.00224327, 0.00129515 ], [ 0, 0.00224327, -0.00129515 ], [ 0, 0, -0.00259031 ], [ 0, 0.00224327, 0.00129515 ], [ 0, -0.00224327, -0.00129515 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000431
8.552259
pbe
true
4f9cdf4b265d813e7caec13c2245cff5_194_Tb2Sc2Ge6
[ "Cd", "Tc", "W" ]
4
A2BC
CdTc2W
Cd1 Tc2 W1
3
[ 1, 1, 1 ]
3
[ [ 2.77090445, -0.00034194, 0 ], [ -0.99394106, 2.58650203, 0 ], [ 0, 0, 9.18378261 ] ]
agm004328342
[ [ 0.8884816950000001, 1.293080045, 6.887836957499999 ], [ 0, 0, 0.18377823505175372 ], [ 0, 0, 4.40811297811042 ], [ 0.8884816950000001, 1.293080045, 2.2959456525 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
[ "Cd", "Tc", "Tc", "W" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 6.172558, -0.04391188, 0 ], [ -0.04391188, 6.138821, 0 ], [ 0, 0, 6.1177044 ] ]
-33.552409
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, -0.00339094 ], [ 0, 0, 0.00339094 ], [ 0, 0, 0 ] ]
0.000206
3.687934
pbe
true
68e60585b8b38d804448d1745ef76ec1_65_Cd1Tc2W1
[ "Mn", "O", "Sb", "Tb" ]
22
A7B2CD
MnO7SbTb2
Tb4 Mn2 Sb2 O14
4
[ 1, 1, 1 ]
3
[ [ 7.33130193, -0.01110507, 0.00024226 ], [ 0.02210688, 7.33127701, -0.00024226 ], [ -3.50787357, -3.82968337, 5.17459753 ] ]
agm003228857
[ [ 0.01105344, 3.665638505, -0.00012113 ], [ -1.753936785, -1.914841685, 2.587298765 ], [ -1.742883345, 1.75079682, 2.5871776349999998 ], [ 3.676704405, 3.66008597, 0 ], [ 3.665650965, -0.005552535, 0.00012113 ], [ 1.9227676200000001, 1.7452442849999998, 2.587298765 ], [ 1.9117141800000002, -1.9203942200000002, 2.587419895 ], [ 0, 0, 0 ], [ 5.53528765307159, 3.598534761861623, 1.2937099475 ], [ -1.6897524130715895, -0.10804619186162279, 3.8808875824999998 ], [ 3.440064294834621, -2.310685931766046, 3.8811298425 ], [ 0.45122638764043654, 2.0232555412603004, 3.8808875824999998 ], [ 3.5226225157669595, 1.9690276092304515, 3.9348776706968382 ], [ 0.388805917938812, -2.2364112696681904, 3.8271397543031616 ], [ 5.562386866649845, -0.0799982636042985, 0.9070027845309959 ], [ 1.8569151370559256, 3.6422979731665603, 1.6804171104690042 ], [ 0.40547094516537907, 5.801174501766045, 1.2934676875 ], [ 3.394308852359564, 1.4672330287396989, 1.2937099475 ], [ 0.32291272423304057, 1.5214609607695482, 1.2397198593031618 ], [ 3.4567293220611885, 5.7268998396681905, 1.3474577756968382 ], [ -1.7168516266498457, 3.5704868336042983, 4.267594745469004 ], [ 1.9886201029440747, -0.15180940316656022, 3.494180419530996 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}]
[ "Tb", "Tb", "Tb", "Tb", "Mn", "Mn", "Sb", "Sb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.09090909090909091, 0.6363636363636364, 0.09090909090909091, 0.18181818181818182 ]
[ [ 1.0135083, -0.05822762, 0.13530973 ], [ -0.05822762, 1.0140359, -0.13592409 ], [ 0.13530973, -0.13592409, 1.0542791 ] ]
-166.284125
[ 0.009, 0.009, 0.016, 0.016, 3.938, 3.938, 0.013, 0.013, -0.001, -0.001, 0.003, -0.113, 0.009, 0.009, 0.009, 0.009, 0.003, -0.113, 0.009, 0.009, 0.009, 0.009 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00050811, 0.00050581, 0 ], [ -0.00050811, -0.00050581, 0 ], [ -0.00217639, -0.00216655, 0 ], [ -0.00346589, -0.00345023, 0 ], [ -0.00044113, -0.0032037, 0.0017781 ], [ -0.00320566, -0.00042661, -0.0017781 ], [ -0.00050649, -0.00313804, 0.00187511 ], [ -0.00314031, -0.00049227, -0.00187511 ], [ 0.00217639, 0.00216655, 0 ], [ 0.00346589, 0.00345023, 0 ], [ 0.00044113, 0.0032037, -0.0017781 ], [ 0.00320566, 0.00042661, 0.0017781 ], [ 0.00050649, 0.00313804, -0.00187511 ], [ 0.00314031, 0.00049227, 0.00187511 ] ]
8.000001
0.490826
pbe
true
0bfcee9fd279e9a1dfd85b2db14bc2b8_74_Tb4Mn2Sb2O14
[ "Mn", "O", "Sb", "Y" ]
22
A14B3C3D2
Mn3O14Sb3Y2
Y2 Mn3 Sb3 O14
4
[ 1, 1, 1 ]
3
[ [ 7.18267083, 0.00095875, -0.00217089 ], [ 3.41997384, 6.31621248, -0.00217089 ], [ 3.49950183, 2.08504133, 6.04379425 ] ]
agm003276533
[ [ 3.459737835, 4.200626905, 3.02081168 ], [ 5.3410863299999995, 1.0430000400000001, 3.02081168 ], [ 1.749750915, 1.042520665, 3.021897125 ], [ 0, 0, 0 ], [ 5.301322335, 3.158585615, -0.00217089 ], [ 7.05107325, 4.201106279999999, 3.0197262350000003 ], [ 3.591335415, 0.000479375, -0.001085445 ], [ 1.70998692, 3.15810624, -0.001085445 ], [ 10.654296480329151, 6.3479459436899965, 2.2363405848990374 ], [ 3.447850019670849, 2.054266616310004, 3.803111885100963 ], [ 8.541912426992692, 5.08936450801477, 3.8998646692812917 ], [ 5.560234073007306, 3.31284805198523, 2.139587800718709 ], [ 2.0452279284606383, 1.2185690867443657, 0.38683958129460616 ], [ 12.056918571539361, 7.183643473255635, 5.652612888705394 ], [ 4.994451108433814, 1.2840123625155935, 0.5405453595472514 ], [ 3.5066847070466234, 3.7810569931886393, 0.5405453595472514 ], [ 9.107695391566185, 7.118200197484407, 5.498907110452749 ], [ 10.595461792953376, 4.62115556681136, 5.498907110452749 ], [ 5.576358469286208, 5.094245376314085, 4.074834463777061 ], [ 7.134527076093583, 2.479038748658112, 4.074834463777061 ], [ 8.525788030713793, 3.307967183685916, 1.964618006222939 ], [ 6.9676194239064175, 5.923173811341888, 1.964618006222939 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Y", "Mn", "Mn", "Mn", "Sb", "Sb", "Sb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.13636363636363635, 0.6363636363636364, 0.13636363636363635, 0.09090909090909091 ]
[ [ 0.7819608, 0.0267917, -0.00638302 ], [ 0.0267917, 0.7529568, -0.00380307 ], [ -0.00638314, -0.00380315, 0.8354842 ] ]
-161.767818
[ 0.013, 0.013, 4.654, 4.677, 3.892, 0.01, 0.011, 0.011, 0.023, 0.023, 0.038, 0.038, 0.021, 0.021, -0.017, -0.017, -0.017, -0.017, 0.015, 0.015, 0.015, 0.015 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00077707, 0.00046299, -0.00184741 ], [ -0.00077707, -0.00046299, 0.00184741 ], [ -0.00103241, -0.00061512, 0.00050277 ], [ 0.00103241, 0.00061512, -0.00050277 ], [ -0.00108124, -0.00064422, -0.00060221 ], [ 0.00108124, 0.00064422, 0.00060221 ], [ 0.00123562, 0.00171331, 0.00046187 ], [ 0.00209493, 0.00027107, 0.00046187 ], [ -0.00123562, -0.00171331, -0.00046187 ], [ -0.00209493, -0.00027107, -0.00046187 ], [ 0.00067585, -0.00060943, -0.00281939 ], [ -0.00021423, 0.00088447, -0.00281939 ], [ -0.00067585, 0.00060943, 0.00281939 ], [ 0.00021423, -0.00088447, 0.00281939 ] ]
14.000002
-0.003448
pbe
true
66abcb58ca5c202cb9e5ae80773e2b35_12_Y2Mn3Sb3O14
[ "Mn", "O", "Se", "Zn" ]
20
A6B2CD
MnO6SeZn2
Mn2 Zn4 Se2 O12
4
[ 1, 1, 1 ]
3
[ [ 5.26182798, -0.35051007, -0.36375033 ], [ 1.19209651, 6.58792043, 0.25993946 ], [ 1.19209651, 0.01560405, 6.59302819 ] ]
agm004975473
[ [ 2.507553505, 5.93482066963937, 0.713891332196105 ], [ 5.1384674949999996, 0.31819374036063, 5.775325987803895 ], [ 2.5800842626850984, 5.176476200378223, 4.0280271956712665 ], [ 2.4350227473149015, 2.594856415411493, 1.3488886644039273 ], [ 5.0659367373149005, 1.0765382096217762, 2.4611901243287333 ], [ 5.210998252685099, 3.658157994588507, 5.140328655596073 ], [ 2.5075535049999997, 1.78701208527223, 4.710722628965295 ], [ 5.1384674949999996, 4.46600232472777, 1.778494691034705 ], [ 2.5742859289504523, 6.2910916724495305, 5.64717992245569 ], [ 2.440821081049547, 1.018125145040927, 0.17503104895496674 ], [ 5.071735071049548, -0.03807726244953099, 0.8420373975443097 ], [ 5.205199918950452, 5.234889264959072, 6.314186271045033 ], [ 3.456287756063814, 5.583241076965551, 2.352728296875435 ], [ 1.558819253936186, 4.2840796027225005, 1.0044919767117164 ], [ 4.189733243936186, 0.6697733330344477, 4.1364890231245655 ], [ 6.087201746063813, 1.9689348072774997, 5.484725343288283 ], [ 5.900893146963652, 4.385675480427526, 3.3869195857106655 ], [ 4.376041843036349, 2.8557054115497835, 1.7991560493786631 ], [ 1.7451278530363488, 1.8673389295724738, 3.1022977342893348 ], [ 3.269979156963651, 3.3973089984502165, 4.690061270621337 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Mn", "Mn", "Zn", "Zn", "Zn", "Zn", "Se", "Se", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.6, 0.1, 0.2 ]
[ [ 1.1746407, -0.04671857, -0.04848333 ], [ -0.0467187, 1.0157616, 0.06475804 ], [ -0.04848346, 0.06475804, 1.0205649 ] ]
-108.782873
[ 3.191, 3.191, 0, 0, 0, 0, 0.013, 0.013, -0.064, -0.064, -0.064, -0.064, -0.058, -0.058, -0.058, -0.058, 0, 0, 0, 0 ]
[ [ 0, -0.00607286, 0.00585181 ], [ 0, 0.00607286, -0.00585181 ], [ -0.00741948, 0.00376367, -0.00359548 ], [ 0.00741948, 0.0037325, -0.00362783 ], [ 0.00741948, -0.00376367, 0.00359548 ], [ -0.00741948, -0.0037325, 0.00362783 ], [ 0, 0.00192544, -0.00185536 ], [ 0, -0.00192544, 0.00185536 ], [ -0.0022491, 0.00151244, -0.00362486 ], [ 0.0022491, 0.00367842, -0.00137706 ], [ 0.0022491, -0.00151244, 0.00362486 ], [ -0.0022491, -0.00367842, 0.00137706 ], [ -0.00359367, -0.00185535, -0.00103189 ], [ 0.00359367, 0.00096242, 0.00189231 ], [ 0.00359367, 0.00185535, 0.00103189 ], [ -0.00359367, -0.00096242, -0.00189231 ], [ -0.00385616, -0.00045922, -0.00146702 ], [ 0.00385616, 0.001449, 0.00051327 ], [ 0.00385616, 0.00045922, 0.00146702 ], [ -0.00385616, -0.001449, -0.00051327 ] ]
5.999414
0.18326
pbe
true
621137b22fb7978ef905a5e632c6b2df_15_Mn2Zn4Se2O12
[ "Mn", "O", "Tb", "Te" ]
5
A2BCD
MnO2TbTe
Tb1 Mn1 Te1 O2
4
[ 1, 1, 1 ]
3
[ [ 3.88324733, 0, 0 ], [ 0, 3.88324733, 0 ], [ -1.94162367, -1.94162367, 6.48778714 ] ]
agm005014863
[ [ -1.6908521694865987e-9, -1.6908521694865987e-9, 2.1939778317601415 ], [ 1.9416236424929723, 1.9416236424929723, 4.010478755567677 ], [ 1.9416236455016116, 1.9416236455016116, 0.1065968729471846 ], [ 1.9416236818481294, 1.6848129131056932e-8, 3.332266897649639 ], [ 1.6848129131056932e-8, 1.9416236818481294, 3.332266897649639 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}]
[ "Tb", "Mn", "Te", "O", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 0.5358637, 0, 0 ], [ 0, 0.5358637, 0 ], [ 0, 0, 0.8161955 ] ]
-34.962584
[ 0.019, 4.428, -0.011, -0.023, -0.023 ]
[ [ 0, 0, 0.00326576 ], [ 0, 0, 0.00330408 ], [ 0, 0, -0.00008909 ], [ 0, 0, -0.00324037 ], [ 0, 0, -0.00324037 ] ]
4.579586
2.075886
pbe
true
8c19ed84337fb8f442594f10eb415555_107_Tb1Mn1Te1O2
[ "Bi", "Hg", "K" ]
4
A2BC
BiHgK2
K2 Hg1 Bi1
3
[ 1, 1, 1 ]
3
[ [ 3.87193943, -0.002242, 0.00147025 ], [ 1.93402809, 3.35431891, 0.00147025 ], [ 1.94100961, 1.12064242, 11.49015993 ] ]
agm005127889
[ [ 1.9392418083480554, 1.1196217794007228, 8.61409222779654 ], [ 1.9362240721027908, 1.1178794888869805, 2.876997796910553 ], [ 3.8705196775879993, 2.2346455773736773, 0.0024599341582257 ], [ 3.8744782540112186, 2.2369310622169682, 5.746089196004157 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}]
[ "K", "K", "Hg", "Bi" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 2.289824, 0.00660759, 0.00461393 ], [ 0.00660759, 2.2821944, 0.00266386 ], [ 0.00461391, 0.00266384, 2.090236 ] ]
-6.934819
[ 0, 0, 0, 0 ]
[ [ -0.00025873, -0.00014938, 0.00285989 ], [ -0.00015746, -0.00009091, -0.00346146 ], [ -0.00014743, -0.00008512, 0.00040692 ], [ 0.00056362, 0.00032541, 0.00019466 ] ]
0
1.681818
pbe
true
1c349585adc1d76203e1076340b72bc9_160_K2Hg1Bi1
[ "Mn", "O", "Te", "Zn" ]
20
A6B2CD
MnO6TeZn2
Mn2 Zn4 Te2 O12
4
[ 1, 1, 1 ]
3
[ [ 5.4676876, -0.43510997, -0.45154592 ], [ 1.15473499, 6.63371094, 0.1755484 ], [ 1.15473499, -0.07042609, 6.6356596 ] ]
agm004949648
[ [ 2.5216568899999996, 5.946610385357522, 0.619934433113432 ], [ 5.255500690000001, 0.18156449464247837, 5.739727646886568 ], [ 2.6791943414471624, 5.035502768617226, 3.9269158316497186 ], [ 2.3641194385528377, 2.608134080785752, 1.4078551170615776 ], [ 5.097963238552836, 1.0926721113827744, 2.4327462483502815 ], [ 5.413038141447163, 3.5200407992142484, 4.951806962938423 ], [ 2.5216568899999996, 1.612264986913241, 4.796512735117256 ], [ 5.255500690000001, 4.515909893086759, 1.563149344882744 ], [ 2.7815698263286484, 6.476648021385584, 5.30507447151904 ], [ 2.2617439536713513, 1.284332947446372, -0.08337639956803199 ], [ 4.9955877536713515, -0.3484731413855829, 1.05458760848096 ], [ 5.515413626328647, 4.843841932553628, 6.443038479568032 ], [ 3.725659232635235, 5.426968175525219, 2.3205527390097433 ], [ 1.3176545473647647, 4.227901804954693, 1.0761925372338808 ], [ 4.051498347364764, 0.7012067044747817, 4.039109340990256 ], [ 6.459503032635235, 1.9002730750453065, 5.283469542766119 ], [ 6.160171768126113, 4.352118357864787, 3.2910841372540443 ], [ 4.350829611873886, 2.783091877854001, 1.6627888613437882 ], [ 1.6169858118738867, 1.7760565221352143, 3.0685779427459563 ], [ 3.426327968126113, 3.345083002146, 4.696873218656212 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Mn", "Mn", "Zn", "Zn", "Zn", "Zn", "Te", "Te", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.6, 0.1, 0.2 ]
[ [ 0.9474908, -0.03030015, -0.03144471 ], [ -0.03030014, 1.1693552, 0.00186805 ], [ -0.0314447, 0.00186805, 1.1694938 ] ]
-112.921259
[ 4.627, 4.627, 0.006, 0.006, 0.006, 0.006, 0.016, 0.016, 0.035, 0.035, 0.035, 0.035, 0.019, 0.019, 0.019, 0.019, 0.008, 0.008, 0.008, 0.008 ]
[ [ 0, -0.00981231, 0.00945515 ], [ 0, 0.00981231, -0.00945515 ], [ 0.00549945, -0.001615, 0.00819926 ], [ -0.00549945, -0.00825348, 0.00131001 ], [ -0.00549945, 0.001615, -0.00819926 ], [ 0.00549945, 0.00825348, -0.00131001 ], [ 0, 0.00222574, -0.00214473 ], [ 0, -0.00222574, 0.00214473 ], [ 0.00000501, 0.00207208, -0.00042301 ], [ -0.00000501, 0.00049951, -0.00205498 ], [ -0.00000501, -0.00207208, 0.00042301 ], [ 0.00000501, -0.00049951, 0.00205498 ], [ -0.00093969, -0.00059849, 0.00005683 ], [ 0.00093969, -0.00007897, 0.00059597 ], [ 0.00093969, 0.00059849, -0.00005683 ], [ -0.00093969, 0.00007897, -0.00059597 ], [ -0.00148353, 0.00329571, -0.00348563 ], [ 0.00148353, 0.00360538, -0.00316426 ], [ 0.00148353, -0.00329571, 0.00348563 ], [ -0.00148353, -0.00360538, 0.00316426 ] ]
10.000252
0.130244
pbe
true
5ad23b3c8677569bb4edcbb743df1572_15_Mn2Zn4Te2O12
[ "Ac", "Dy", "Fe" ]
3
ABC
AcDyFe
Ac1 Dy1 Fe1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.45482, 3.45482 ], [ 3.45482, 0, 3.45482 ], [ 3.45482, 3.45482, 0 ] ]
oqmd-5670517
[ [ 5.18223, 5.18223, 5.18223 ], [ 1.72741, 1.72741, 1.72741 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}]
[ "Ac", "Dy", "Fe" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 3.40467294, 0, 0 ], [ 0, 3.40467294, 0 ], [ 0, 0, 3.40467294 ] ]
-16.1151
[ -0.085, -0.236, 0.778 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.276022
null
pbe
true
33e1dd7a344e754f91efb75d2a47c493_216_Ac1Dy1Fe1
[ "Ac", "Dy", "K" ]
3
ABC
AcDyK
Ac1 Dy1 K1
3
[ 1, 1, 1 ]
3
[ [ 0, 4.327217344, 4.327217344 ], [ 4.327217344, 0, 4.327217344 ], [ 4.327217344, 4.327217344, 0 ] ]
oqmd-6936781
[ [ 2.16361, 2.16361, 2.16361 ], [ 0, 0, 0 ], [ 6.49083, 6.49083, 6.49083 ] ]
[{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}]
[ "Ac", "Dy", "K" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 0.98101072, 0, 0 ], [ 0, 0.98101072, 0 ], [ 0, 0, 0.98101072 ] ]
-6.78396
[ 0.008, 0.02, 0.001 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.065175
null
pbe
true
87a8e6883d081aa661510aa7b0fa6dde_216_K1Ac1Dy1
[ "Ac", "Fe", "Nd" ]
3
ABC
AcFeNd
Ac1 Fe1 Nd1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.57831, 3.57831 ], [ 3.57831, 0, 3.57831 ], [ 3.57831, 3.57831, 0 ] ]
oqmd-4278293
[ [ 1.7891600000000016, 1.7891600000000016, 1.7891600000000016 ], [ 5.367470000000002, 5.367470000000002, 5.367470000000002 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}]
[ "Ac", "Fe", "Nd" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ -10.21604, 0, 0 ], [ 0, -10.21604, 0 ], [ 0, 0, -10.21604 ] ]
-14.3164
[ -0.167, 2.587, -0.388 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.78827
null
pbe
true
f4909aff9d7704152855b11e70de4988_216_Ac1Nd1Fe1
[ "Bi", "Ga", "Ni" ]
8
A2BC
BiGa2Ni
Ga4 Ni2 Bi2
3
[ 1, 1, 1 ]
3
[ [ 4.55571039, 0, 0 ], [ 0, 4.55571039, 0 ], [ 2.27785519, 2.27785519, 8.19573916 ] ]
agm002868503
[ [ 2.277855195, 2.277855195, 0 ], [ 2.2778551924999997, 4.5557103875, 4.09786958 ], [ 0, 0, 0 ], [ 4.5557103875, 2.2778551924999997, 4.09786958 ], [ 2.8719233365030004, 1.1389275962499998, 2.04893479 ], [ 1.6837870509969997, 3.41678279125, 2.04893479 ], [ 3.41678278875, 3.9616422434969993, 6.14680437 ], [ 5.69463798375, 5.149778529003, 6.14680437 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ni", "Ni", "Bi", "Bi", "Ga", "Ga", "Ga", "Ga" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ -1.5119417, 0, 0 ], [ 0, -1.5119417, 0 ], [ 0, 0, -1.8450525 ] ]
-31.0636
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01416971, 0, 0 ], [ 0.01416971, 0, 0 ], [ 0, 0.01416971, 0 ], [ 0, -0.01416971, 0 ] ]
0
4.798838
pbe
true
316edc39a5116f1496348558bded6fa3_122_Ga4Ni2Bi2
[ "Ac", "Ga", "K" ]
3
ABC
AcGaK
K1 Ac1 Ga1
3
[ 1, 1, 1 ]
3
[ [ 4.0144289, 0, 0 ], [ 0, 4.0144289, 0 ], [ -2.00721445, -2.00721445, 7.76944075 ] ]
agm001836667
[ [ -1.9560537824503424e-18, -1.9560537824503424e-18, 4.4257780132774 ], [ 2.007214449386441e-8, 2.007214449386441e-8, 0.4501574346402175 ], [ 2.007214429927856, 2.007214429927856, 2.8935053020823824 ] ]
[{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ac", "K", "Ga" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 0.9277999, 0, 0 ], [ 0, 0.9277999, 0 ], [ 0, 0, 0.77209395 ] ]
-8.321028
[ 0, 0, 0 ]
[ [ 0, 0, 0.00294527 ], [ 0, 0, 0.00151352 ], [ 0, 0, -0.00445878 ] ]
-0
3.316566
pbe
true
c0b5e28c2256e3afbe0642a2bf4859f0_107_K1Ac1Ga1
[ "Mn", "Os", "P", "Th" ]
5
A2BCD
MnOsP2Th
Th1 Mn1 P2 Os1
4
[ 1, 1, 1 ]
3
[ [ 4.06556039, 0, 0 ], [ 0, 4.06556039, 0 ], [ -2.0327802, -2.0327802, 4.90576666 ] ]
agm005022948
[ [ 0, 0, 0 ], [ -2.4999999848063226e-9, 2.0327801924999997, 2.45288333 ], [ 2.032780213963403, 2.032780213963403, 1.3386846740851346 ], [ -2.3963402921924226e-8, -2.3963402921924226e-8, 3.5670819859148657 ], [ 2.0327801924999997, -2.4999999848063226e-9, 2.45288333 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Th", "Mn", "P", "P", "Os" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 3.0638127, 0, 0 ], [ 0, 3.0638127, 0 ], [ 0, 0, 2.9249098 ] ]
-42.786301
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00283294 ], [ 0, 0, 0.00283294 ], [ 0, 0, 0 ] ]
0.000002
2.019572
pbe
true
638a9cb54603d0070c48c1e60724f905_119_Th1Mn1P2Os1
[ "Mn", "Os", "Pm", "Si" ]
5
A2BCD
MnOsPmSi2
Pm1 Mn1 Si2 Os1
4
[ 1, 1, 1 ]
3
[ [ 4.03522451, 0, 0 ], [ 0, 4.03522451, 0 ], [ -2.01761225, -2.01761225, 5.20111885 ] ]
agm005019622
[ [ 0, 0, 0 ], [ 2.4999999848063226e-9, 2.0176122575, 2.600559425 ], [ 2.0176122562222583, 2.0176122562222583, 1.271422136739791 ], [ 3.777741717818549e-9, 3.777741717818549e-9, 3.9296967132602094 ], [ 2.0176122575, 2.4999999848063226e-9, 2.600559425 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Pm", "Mn", "Si", "Si", "Os" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 3.1908798, 0, 0 ], [ 0, 3.1908798, 0 ], [ 0, 0, 2.920904 ] ]
-39.405256
[ -0.033, 2.679, -0.045, -0.045, 0.077 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00202437 ], [ 0, 0, 0.00202437 ], [ 0, 0, 0 ] ]
2.695627
1.151541
pbe
true
2adef62b5075c49cefcd576530e8645d_119_Pm1Mn1Si2Os1
[ "Mn", "Os", "Pu", "Si" ]
5
A2BCD
MnOsPuSi2
Pu1 Mn1 Si2 Os1
4
[ 1, 1, 1 ]
3
[ [ 3.97331401, 0, 0 ], [ 0, 3.97331401, 0 ], [ -1.98665701, -1.986657, 5.19038288 ] ]
agm005019623
[ [ 0, 0, 0 ], [ -2.4999999848063226e-9, 1.9866570075000003, 2.59519144 ], [ 1.986657023684488, 1.9866570260486525, 1.227091894630376 ], [ -2.3684487819807067e-8, -1.6048652196664026e-8, 3.963290985369624 ], [ 1.9866570025000003, 2.500000095828625e-9, 2.59519144 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Pu", "Mn", "Si", "Si", "Os" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 4.130197, 0, 0 ], [ 0, 4.130197, 0 ], [ 0, 0, 4.430415 ] ]
-48.14373
[ 5.006, 2.539, -0.061, -0.061, 0.012 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00166935 ], [ 0, 0, -0.00166935 ], [ 0, 0, 0 ] ]
7.760568
9.775299
pbe
true
4d03cac939649dd1fc12793fb0c8ff54_119_Pu1Mn1Si2Os1
[ "Ac", "In", "Sc" ]
4
A2BC
Ac2InSc
Ac2 Sc1 In1
3
[ 1, 1, 1 ]
3
[ [ 5.01462386, 0, 0 ], [ 0, 5.17054718, 0 ], [ 0, 0, 5.17054718 ] ]
agm001223749
[ [ 2.50731193, 0, 0 ], [ 0, 0, 2.58527359 ], [ 0, 2.58527359, 0 ], [ 2.50731193, 2.58527359, 2.58527359 ] ]
[{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]
[ "Sc", "Ac", "Ac", "In" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 1.8132511, 0, 0 ], [ 0, 1.8934255, 0 ], [ 0, 0, 1.8934255 ] ]
-17.77329
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000309
6.198443
pbe
true
b251c91609d68a5f4e57662aa12f83f7_123_Ac2Sc1In1
[ "Mn", "P", "Pa", "Tc" ]
5
A2BCD
MnP2PaTc
Pa1 Mn1 Tc1 P2
4
[ 1, 1, 1 ]
3
[ [ 4.05531074, 0, 0 ], [ 0, 4.05531074, 0 ], [ -2.02765538, -2.02765537, 4.67880925 ] ]
agm005022987
[ [ 0, 0, 0 ], [ 2.027655365, 0, 2.339404625 ], [ -4.999999969612645e-9, 2.0276553700000006, 2.339404625 ], [ 2.0276553876715315, 2.0276553902765535, 1.2188401497934425 ], [ -2.7671531661982788e-8, -2.0276553806925553e-8, 3.4599691002065573 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Pa", "Mn", "Tc", "P", "P" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 3.0523655, 0, 0 ], [ 0, 3.0523655, 0 ], [ 0, 0, 2.3973129 ] ]
-44.028974
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00256476 ], [ 0, 0, -0.00256476 ] ]
-0.000043
4.914357
pbe
true
8eae06f03ddafc514b4681aea18e7151_119_Pa1Mn1Tc1P2
[ "Mn", "P", "Pd", "Pr" ]
5
A2BCD
MnP2PdPr
Pr1 Mn1 P2 Pd1
4
[ 1, 1, 1 ]
3
[ [ 3.90706641, 0, 0 ], [ 0, 3.90706641, 0 ], [ -1.9535332, -1.9535332, 5.60738293 ] ]
agm005022737
[ [ 0, 0, 0 ], [ 2.4999999848063226e-9, 1.9535332075, 2.803691465 ], [ 1.953533225889868, 1.953533225889868, 1.5190800163772908 ], [ -1.588986779608565e-8, -1.588986779608565e-8, 4.088302913622709 ], [ 1.9535332075, 2.4999999848063226e-9, 2.803691465 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Pr", "Mn", "P", "P", "Pd" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 3.152107, 0, 0 ], [ 0, 3.152107, 0 ], [ 0, 0, 2.8066912 ] ]
-33.974903
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00451034 ], [ 0, 0, 0.00451034 ], [ 0, 0, 0 ] ]
0.000038
2.957041
pbe
true
f04de150e69ed1cc34fbdafa0710eb8f_119_Pr1Mn1P2Pd1
[ "Mn", "P", "Pr", "Ru" ]
5
A2BCD
MnP2PrRu
Pr1 Mn1 P2 Ru1
4
[ 1, 1, 1 ]
3
[ [ 4.03123169, 0, 0 ], [ 0, 4.03123169, 0 ], [ -2.01561585, -2.01561584, 5.03299542 ] ]
agm005020323
[ [ 0, 0, 0 ], [ 2.0156158425, 2.4999999848063226e-9, 2.51649771 ], [ 2.0156158234363346, 2.0156158262513486, 1.4167954079134506 ], [ 1.6563665807694892e-8, 2.374865146402835e-8, 3.616200012086549 ], [ -2.4999999848063226e-9, 2.0156158475000003, 2.51649771 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Pr", "Mn", "P", "P", "Ru" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 2.6332905, 0, 0 ], [ 0, 2.6332905, 0 ], [ 0, 0, 2.920072 ] ]
-38.68621
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.0045411 ], [ 0, 0, 0.0045411 ], [ 0, 0, 0 ] ]
0.000026
2.977688
pbe
true
521b7f9e0adb1ab21848873dff187a3b_119_Pr1Mn1P2Ru1
[ "Bi", "Ga", "Pb" ]
4
A2BC
BiGa2Pb
Ga2 Bi1 Pb1
3
[ 1, 1, 1 ]
3
[ [ 4.52179362, 0, 0 ], [ 2.26089681, 3.91598814, 0 ], [ 2.26089681, 1.30532938, 6.36640377 ] ]
agm005117538
[ [ 2.260896787391032, 1.3053293669467063, 4.773706341778693 ], [ 2.260896787391032, 1.3053293669467063, 1.5791185892843118 ], [ 6.782688146494222, 3.9159868216173264, 6.2787106962307 ], [ 4.521793642608968, 2.6106587730532937, 3.2844674949665627 ] ]
[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ga", "Ga", "Bi", "Pb" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 2.589041, 0, 0 ], [ 0, 2.589041, 0 ], [ 0, 0, 2.3540707 ] ]
-13.142744
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0.00237758 ], [ 0, 0, 0.00003072 ], [ 0, 0, 0.00331161 ], [ 0, 0, -0.00571991 ] ]
0
2.089973
pbe
true
202b8317ee48b6a8ec5927a0fe0c9b80_160_Ga2Bi1Pb1
[ "Bi", "Ga", "Pu" ]
3
ABC
BiGaPu
Pu1 Ga1 Bi1
3
[ 1, 1, 1 ]
3
[ [ 3.32439037, 0, 0 ], [ 0, 5.24358711, 0 ], [ 0, -2.62179356, 4.54107965 ] ]
agm001268141
[ [ 0.5514576204051621, 0, 0 ], [ 0.5573688851415777, 2.621793579551269, 1.5136932015297346 ], [ 2.215563897697164, -2.9551269105227433e-8, 3.0273864484702657 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Bi", "Ga", "Pu" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 5.6261587, 0, 0 ], [ 0, -2.8261864, 0 ], [ 0, 0, -2.8261864 ] ]
-21.679631
[ -0.032, 0.006, 5.606 ]
[ [ 0.0002968, 0, 0 ], [ 0.00061231, 0, 0 ], [ -0.00090911, 0, 0 ] ]
5.970416
9.504935
pbe
true
2bc37d00ead3b20fe3b974789b0d398a_156_Pu1Ga1Bi1
[ "Bi", "Ga", "Rb" ]
10
A2B2C
BiGa2Rb2
Rb4 Ga4 Bi2
3
[ 1, 1, 1 ]
3
[ [ 7.19075811, 0, -0.37829623 ], [ 3.59537905, 5.95633723, -0.18914812 ], [ 2.7041567, 0, 8.82780829 ] ]
agm003403870
[ [ 7.234784319771568, 1.9421207559887912, 5.886573597735198 ], [ 6.255509540228433, 4.014216474011209, 2.373790342264802 ], [ 10.830163373032164, 4.014216474011209, 5.697425480995793 ], [ 2.6601304869678364, 1.9421207559887912, 2.5629384590042066 ], [ 6.459192048736982, 0, 2.3692136370325945 ], [ 8.30763766429716, 5.95633723, 0.33997739600225496 ], [ 5.182656195702839, 0, 7.920386543997745 ], [ 7.031101811263018, 5.95633723, 5.891150302967406 ], [ 3.5953826826523794, 4.384419748853442, -0.18914830972006252 ], [ 9.894911177347621, 1.5719174811465577, 8.449512249720062 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Rb", "Rb", "Rb", "Rb", "Ga", "Ga", "Ga", "Ga", "Bi", "Bi" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.4 ]
[ [ 0.8211887, 0, -0.04160222 ], [ 0, 0.84841555, 0 ], [ -0.04160238, 0, 0.78686905 ] ]
-24.327672
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00027273, -0.00047752, -0.002328 ], [ -0.00027273, 0.00047752, 0.002328 ], [ 0.00027273, 0.00047752, -0.002328 ], [ -0.00027273, -0.00047752, 0.002328 ], [ 0.00199741, 0, 0.00432316 ], [ -0.00089823, 0, -0.00998759 ], [ 0.00089823, 0, 0.00998759 ], [ -0.00199741, 0, -0.00432316 ], [ 0, 0.00296088, 0 ], [ 0, -0.00296088, 0 ] ]
-0.000019
3.306936
pbe
true
3ae7adfbdb1524f29b566807bebd39a3_12_Rb4Ga4Bi2
[ "Bi", "Ga", "S" ]
4
A2BC
BiGa2S
Ga2 Bi1 S1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.55223145, 3.55223145 ], [ 3.55223145, 0, 3.55223145 ], [ 3.55223145, 3.55223145, 0 ] ]
agm002730391
[ [ 0, 0, 0 ], [ 3.55223145, 3.55223145, 3.55223145 ], [ 1.776115725, 1.776115725, 1.776115725 ], [ 5.328347174999999, 5.328347174999999, 5.328347174999999 ] ]
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "S", "Bi", "Ga", "Ga" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 1.8620062, 0, 0 ], [ 0, 1.8620062, 0 ], [ 0, 0, 1.8620062 ] ]
-13.467236
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.398534
pbe
true
829e730de2bf4f0325b3d54e731e0606_225_Ga2Bi1S1
[ "Ac", "Te", "Zn" ]
3
ABC
AcTeZn
Ac1 Te1 Zn1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.806044372, 3.806044372 ], [ 3.806044372, 0, 3.806044372 ], [ 3.806044372, 3.806044372, 0 ] ]
oqmd-4888383
[ [ 3.8060399999999968, 3.8060399999999968, 3.8060399999999968 ], [ 1.9030199999999984, 1.9030199999999984, 1.9030199999999984 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Ac", "Te", "Zn" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 3.18500487, 0, 0 ], [ 0, 3.18500487, 0 ], [ 0, 0, 3.18500487 ] ]
-9.94245
[ 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.003604
null
pbe
true
ecd305242fbb4389af165c329f189042_216_Ac1Zn1Te1
[ "Mn", "Pb", "S", "Sb" ]
50
A14B6C4D
MnPb4S14Sb6
Mn2 Pb8 S28 Sb12
4
[ 1, 1, 1 ]
3
[ [ 4.03600048, -0.00498614, 0 ], [ -0.54381562, 15.96960664, 0 ], [ 0, 0, 19.37850325 ] ]
mp-683891
[ [ 2.01800024, -0.00249307, 0 ], [ 1.74609243, 7.98231025, 9.689251625 ], [ -0.005127104591395813, 10.893530595361256, 8.480971910682463 ], [ 3.0657672359584955, 13.897587354993574, 6.59138626723201 ], [ 0.008883856462243185, 14.321031955840345, 10.64577435163497 ], [ 3.4833010035377567, 1.6435885441596556, 8.732728898365032 ], [ 3.4973119645913964, 5.071089904638745, 10.897531339317538 ], [ 3.2254041545913963, 13.055893224638746, 18.170223535682464 ], [ 3.3376750459584956, 5.9127840349935745, 3.09786535776799 ], [ 0.2667807054086042, 2.9087272753612545, 1.2082797143175377 ], [ 0.28079166646224324, 6.336228635840345, 18.421980523365033 ], [ 0.15450981404150477, 10.051836465006426, 16.28063789223201 ], [ 0.4264176240415048, 2.0670331450064263, 12.78711698276799 ], [ 3.2113931935377567, 9.628391864159656, 0.9565227266349675 ], [ 1.687738319421386, 5.021569045549559, 6.977588209902561 ], [ 2.0763543505786144, 2.9582481344504417, 16.66683983490256 ], [ 1.718561039159068, 1.1615580525297748, 5.047372821398028 ], [ 1.4158305094213859, 13.00637236554956, 2.71166341509744 ], [ 1.4466532291590681, 9.146361372529775, 4.641878803601973 ], [ 2.045531630840932, 6.818259127470225, 14.736624446398029 ], [ 1.773623820840932, 14.803062447470227, 14.331130428601973 ], [ 1.8044465405786143, 10.943051454450442, 12.400915040097441 ], [ 0.052536504400398004, 1.5420490611345536, 18.52661262002805 ], [ 2.226944414755446, 0.049063040061919604, 11.644852465191967 ], [ 0.06046438036538541, 5.080512970163499, 16.292466918185877 ], [ 1.7106646009973818, 12.559688531454647, 9.76230160599133 ], [ 1.2127313582318218, 12.410409842485166, 5.7685973045157475 ], [ 1.2652404452445538, 15.91555745993808, 7.733650784808033 ], [ 1.9550366047554462, 8.033866360061921, 17.422902409808035 ], [ 0.02751743109170943, 8.809820536762315, 14.159171016742384 ], [ 1.4846391682318218, 4.4256065224851655, 3.9206543204842528 ], [ 2.007545691768178, 11.539013977514836, 15.457848929515748 ], [ 1.7651290282998393, 9.307733231936318, 7.656127857696538 ], [ 2.2794535017681783, 3.5542106575148344, 13.609905945484254 ], [ 1.982572410997382, 4.574885211454645, 19.30545326900867 ], [ 1.781520259002618, 3.4049319685453545, 9.61620164400867 ], [ 1.5371482552445537, 7.930754139938081, 1.9556008401919676 ], [ 2.0370368382998394, 1.3229299119363183, 2.0331237673034623 ], [ 0.2994252410917094, 0.8250172167623148, 14.908583858257618 ], [ 3.703628289634615, 2.8993042098365014, 6.603215293185875 ], [ 3.4646674289082906, 7.154799963237685, 5.219332233257617 ], [ 3.431720479634615, 10.884107529836502, 3.086036331814125 ], [ 1.7270558317001607, 6.656887268063683, 11.722375392303464 ], [ 3.711556165599602, 6.4377681188654465, 8.83736099502805 ], [ 1.4551480217001609, 14.641690588063682, 17.345379482696536 ], [ 3.192759618908291, 15.139603283237687, 4.4699193917423825 ], [ 1.509612449002618, 11.389735288545355, 0.07304998099133 ], [ 3.439648355599602, 14.422571438865447, 0.8518906299719501 ], [ -0.21144342963461463, 13.065316290163498, 12.775287956814125 ], [ -0.21937130559960205, 9.526852381134555, 10.541142254971952 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
[ "Mn", "Mn", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S" ]
2013-10-13 05:45:03
[ 0.04, 0.16, 0.56, 0.24 ]
[]
-231.588331
[ 4.212, 4.212, 0.019, 0.003, 0.006, 0.006, 0.019, 0.019, 0.003, 0.019, 0.006, 0.003, 0.003, 0.006, 0.017, 0.017, 0.008, 0.017, 0.008, 0.008, 0.008, 0.017, 0.034, 0.007, 0.003, 0.005, 0.006, 0.007, 0.006, 0.002, 0.006, 0.006, 0.009, 0.006, 0.005, 0.005, 0.006, 0.009, 0.002, 0.003, 0.002, 0.003, 0.009, 0.034, 0.009, 0.002, 0.005, 0.034, 0.003, 0.034 ]
[]
8.898
5.679667
pbe
true
d1b9a902635aed25a188e88f4d63740c_14_Mn2Sb12Pb8S28
[ "Bi", "Ga", "S" ]
4
A2BC
BiGaS2
Ga1 Bi1 S2
3
[ 1, 1, 1 ]
3
[ [ 4.09394039, 0, 0 ], [ 2.04697019, 3.54583505, 0.00003475 ], [ 2.04697019, 1.18189144, 6.70837752 ] ]
agm002181667
[ [ 2.0469701925263957, 1.181905948822239, 1.624055321926861 ], [ 6.140910577473604, 3.5458205411777612, 5.084356948073139 ], [ 0, 0, 0 ], [ 4.093940385, 2.363863245, 3.354206135 ] ]
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "S", "S", "Bi", "Ga" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 0.7693437, 0, 0 ], [ 0, 0.7910892, -0.03965979 ], [ 0, -0.03965971, 1.5796162 ] ]
-16.418905
[ 0, 0, 0, 0 ]
[ [ 0, -0.00017919, -0.0112896 ], [ 0, 0.00017919, 0.0112896 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
0.001431
pbe
true
9ba5dd54249885216300b6ae229373ec_166_Ga1Bi1S2
[ "Bi", "Ga", "Sc" ]
4
A2BC
BiGaSc2
Sc2 Ga1 Bi1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.57339816, 3.57339816 ], [ 3.57339816, 0, 3.57339816 ], [ 3.57339816, 3.57339816, 0 ] ]
agm002732714
[ [ 1.78669908, 1.78669908, 1.78669908 ], [ 5.36009724, 5.36009724, 5.36009724 ], [ 3.57339816, 3.57339816, 3.57339816 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Sc", "Sc", "Bi", "Ga" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 4.4710054, 0, 0 ], [ 0, 4.4710054, 0 ], [ 0, 0, 4.4710054 ] ]
-21.027239
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000052
5.699261
pbe
true
3ccb88407021bfd82d26b13abf9e1019_225_Sc2Ga1Bi1
[ "Ag", "As", "Mn" ]
3
ABC
AgAsMn
Mn1 Ag1 As1
3
[ 1, 1, 1 ]
3
[ [ 2.97557682, 0, 0 ], [ -1.48778841, 2.57692512, 0 ], [ 0, 0, 6.65696714 ] ]
agm004438634
[ [ 0, 0, 6.537079555406913 ], [ 1.487788424877884, 0.8589750314102496, 2.4404978086791482 ], [ -1.4877884193187405e-8, 1.7179500885897503, 4.336356915913939 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
[ "Ag", "As", "Mn" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 4.3131766, 0, 0 ], [ 0, 4.3131766, 0 ], [ 0, 0, 4.1932197 ] ]
-16.069871
[ 0.035, -0.055, 3.302 ]
[ [ 0, 0, -0.00331808 ], [ 0, 0, 0.00103559 ], [ 0, 0, 0.00228249 ] ]
3.391249
1.536505
pbe
true
56a6b36409e3113ad232bb8cca8af46c_156_Mn1Ag1As1
[ "Mn", "Pt", "Se", "Tl" ]
12
ABCD
MnPtSeTl
Mn3 Tl3 Pt3 Se3
4
[ 1, 1, 1 ]
3
[ [ 3.51882544, 0, 0 ], [ -1.75941272, 3.04739222, 0 ], [ 0, 0, 24.63091351 ] ]
agm002101178
[ [ 0, 0, 23.996610343398153 ], [ -0.0000017594127201378178, 2.03159582913074, 15.786314050369326 ], [ 1.7594144794127202, 1.01579639086926, 7.575993126426987 ], [ 0, 0, 3.0171972484498233 ], [ -0.0000017594127201378178, 2.03159582913074, 19.437814465420992 ], [ 1.7594144794127202, 1.01579639086926, 11.227493541478653 ], [ 0, 0, 17.331459777751242 ], [ -0.0000017594127201378178, 2.03159582913074, 9.12116348472241 ], [ 1.7594144794127202, 1.01579639086926, 0.9108425607800715 ], [ 0, 0, 6.181110750004177 ], [ -0.0000017594127201378178, 2.03159582913074, 22.601727966975346 ], [ 1.7594144794127202, 1.01579639086926, 14.391407043033007 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Mn", "Mn", "Mn", "Tl", "Tl", "Tl", "Pt", "Pt", "Pt", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 4.169113, 0, 0 ], [ 0, 4.169113, 0 ], [ 0, 0, 4.1683183 ] ]
-65.07051
[ 3.192, 3.192, 3.192, -0.004, -0.004, -0.004, 0.075, 0.075, 0.075, -0.147, -0.147, -0.147 ]
[ [ 0, 0, -0.00477452 ], [ 0, 0, -0.00477452 ], [ 0, 0, -0.00477452 ], [ 0, 0, -0.00298517 ], [ 0, 0, -0.00298517 ], [ 0, 0, -0.00298517 ], [ 0, 0, 0.00680423 ], [ 0, 0, 0.00680423 ], [ 0, 0, 0.00680423 ], [ 0, 0, 0.00095546 ], [ 0, 0, 0.00095546 ], [ 0, 0, 0.00095546 ] ]
9.657472
4.444398
pbe
true
90e2f8834f24c40981ab0cdc6cae8f27_160_Mn3Tl3Pt3Se3
[ "Ce", "Ge", "Si" ]
4
A2BC
Ce2GeSi
Ce2 Si1 Ge1
3
[ 1, 1, 1 ]
3
[ [ 5.08864317, 0, 0 ], [ 2.54432159, 4.40689426, 0 ], [ 2.54432159, 1.46896475, 4.15485975 ] ]
agm002382023
[ [ 2.5443215875, 1.4689647524999998, 1.0387149375 ], [ 7.6329647625, 4.406894257499999, 3.1161448125 ], [ 5.088643175, 2.9379295049999996, 2.077429875 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Ge", "Si", "Ce", "Ce" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 3.3815205, 0, 0 ], [ 0, 3.3815205, 0 ], [ 0, 0, 3.3815205 ] ]
-23.855672
[ 0.051, 0.035, 0.572, 0.572 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.616262
10.305634
pbe
true
ae8e01630a552a315630691778253353_225_Ce2Si1Ge1
[ "Mn", "Pu", "Ru", "Si" ]
5
A2BCD
MnPuRuSi2
Pu1 Mn1 Si2 Ru1
4
[ 1, 1, 1 ]
3
[ [ 3.97213037, 0, 0 ], [ 0, 3.97213037, 0 ], [ -1.98606519, -1.98606519, 5.18246628 ] ]
agm005018320
[ [ 0, 0, 0 ], [ -2.4999999848063226e-9, 1.9860651825, 2.59123314 ], [ 1.9860651838160586, 1.9860651838160586, 1.2271469656512215 ], [ -3.816058907140591e-9, -3.816058907140591e-9, 3.9553193143487784 ], [ 1.9860651825, -2.4999999848063226e-9, 2.59123314 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Pu", "Mn", "Si", "Si", "Ru" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 3.6164043, 0, 0 ], [ 0, 3.6164043, 0 ], [ 0, 0, 4.176652 ] ]
-46.478392
[ 5.003, 2.543, -0.069, -0.069, 0.021 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00926186 ], [ 0, 0, -0.00926186 ], [ 0, 0, 0 ] ]
7.747804
10.288674
pbe
true
b61da1a0663c0c088837eb46d3c23fd2_119_Pu1Mn1Si2Ru1
[ "Ag", "Cd", "Pd" ]
11
A6B3C2
Ag2Cd6Pd3
Cd6 Ag2 Pd3
3
[ 1, 1, 1 ]
3
[ [ 4.21641145, 0, 0 ], [ 0, 4.21641145, 0 ], [ -2.10820572, -2.10820572, 13.14993835 ] ]
agm003347713
[ [ -0.0000021075319027277364, 2.108207833879547, 1.7721443407710409 ], [ 2.108203617468097, 0.0000021088795473142982, 1.7721443407710409 ], [ 2.1082078375319027, -0.000002103879547347689, 11.377794009228959 ], [ 0.0000021125319026388344, 2.108203621120453, 11.377794009228959 ], [ 2.108207814756972, 2.1082035983455216, 6.925556130865996 ], [ -0.000002084756971330158, 0.0000021316544786563655, 6.224382219134004 ], [ 0.000002090574554763475, -0.0000021258368952230485, 9.075790392062673 ], [ 2.108203639425445, 2.1082078558368953, 4.074147957937327 ], [ 0, 0, 0 ], [ 2.1082057497279734, 2.1082057497279734, 9.58871452035387 ], [ -1.9727973376651727e-8, -1.9727973376651727e-8, 3.561223829646129 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
[ "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Ag", "Ag", "Pd", "Pd", "Pd" ]
2023-11-16 06:57:59
[ 0.18181818181818182, 0.5454545454545454, 0.2727272727272727 ]
[ [ 7.856521, 0, 0 ], [ 0, 7.856521, 0 ], [ 0, 0, 7.8644414 ] ]
-27.502851
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.00041274 ], [ 0, 0, -0.00041274 ], [ 0, 0, 0.00041274 ], [ 0, 0, 0.00041274 ], [ 0, 0, 0.00199719 ], [ 0, 0, -0.00199719 ], [ 0, 0, 0.00278237 ], [ 0, 0, -0.00278237 ], [ 0, 0, 0 ], [ 0, 0, 0.00620152 ], [ 0, 0, -0.00620152 ] ]
0
2.685267
pbe
true
6825dd25a85ae0ccc8419a3f841a32f5_139_Cd6Ag2Pd3
[ "Re", "Ti", "W" ]
4
A2BC
Re2TiW
Re2 Ti1 W1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.13622069, 3.13622069 ], [ 3.13622069, 0, 3.13622069 ], [ 3.13622069, 3.13622069, 0 ] ]
mp-865664
[ [ 3.13622069, 3.13622069, 3.13622069 ], [ 1.568110345, 1.568110345, 1.568110345 ], [ 4.704331035, 4.704331035, 4.704331035 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Ti", "Re", "Re", "W" ]
2023-03-11 05:37:15
[ 0.5, 0.25, 0.25 ]
[ [ 0.25335464, 0, 0 ], [ 0, 0.25335464, 0 ], [ 0, 0, 0.25335464 ] ]
-47.130168
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
7.253685
pbe
true
d6eda61dfa853b8c4dbfcade2727de1d_225_Ti1Re2W1
[ "Bi", "Ga", "Te" ]
4
A2BC
BiGa2Te
Ga2 Bi1 Te1
3
[ 1, 1, 1 ]
3
[ [ 3.99752755, 0, 0 ], [ 1.99876378, 3.46196041, 0 ], [ 1.99876378, 1.1539868, 7.72110432 ] ]
agm005114776
[ [ 1.9987637791311401, 1.1539868008688599, 5.70853694179057 ], [ 1.9987637575410588, 1.1539867909314352, 1.9967470670908798 ], [ 5.996289354532142, 3.461959264244783, 7.663076206060954 ], [ 3.9975275550318785, 2.307973604968122, 3.934392863953277 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ga", "Ga", "Bi", "Te" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 1.4559438, 0, 0 ], [ 0, 1.4559438, 0 ], [ 0, 0, 1.2865597 ] ]
-13.08325
[ 0, 0, 0, 0 ]
[ [ 0, 0, -0.00515329 ], [ 0, 0, 0.00552254 ], [ 0, 0, -0.00108106 ], [ 0, 0, 0.00071181 ] ]
0.000003
1.527618
pbe
true
661a4321f084b30556e81a6150895f84_160_Ga2Bi1Te1
[ "Bi", "Gd", "Pb" ]
3
ABC
BiGdPb
Bi1 Gd1 Pb1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.728761, 3.728761 ], [ 3.728761, 0, 3.728761 ], [ 3.728761, 3.728761, 0 ] ]
oqmd-4246694
[ [ 1.864379999999997, 1.864379999999997, 1.864379999999997 ], [ 0, 0, 0 ], [ 5.593139999999998, 5.593139999999998, 5.593139999999998 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]
[ "Bi", "Gd", "Pb" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 8.92244, 0, 0 ], [ 0, 8.92244, 0 ], [ 0, 0, 8.92244 ] ]
-12.9142
[ 0, 0.001, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000614
null
pbe
true
099eab0d0029a371a88379fd79d6ba25_216_Gd1Bi1Pb1
[ "Mn", "Pb", "Sr" ]
4
A2BC
Mn2PbSr
Sr1 Mn2 Pb1
3
[ 1, 1, 1 ]
3
[ [ 5.17248797, 0, 0 ], [ 2.58624398, 4.47950598, 0 ], [ 2.58624398, 1.49316866, 4.22331874 ] ]
agm004309567
[ [ 0, 0, 0 ], [ 2.5862439825, 1.49316866, 1.055829685 ], [ 5.172487965, 2.98633732, 2.11165937 ], [ 7.7587319475, 4.47950598, 3.167489055 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Mn", "Mn", "Pb", "Sr" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 3.0340698, 0, 0 ], [ 0, 3.0340698, 0 ], [ 0, 0, 3.0340698 ] ]
-21.77544
[ 3.958, 3.873, -0.054, -0.012 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
8.278582
4.939696
pbe
true
1e3aabab8e8de16bf82e5ee96a3d81b6_216_Sr1Mn2Pb1
[ "Ag", "Cl", "Pb" ]
11
A8B2C
Ag2Cl8Pb
Ag2 Pb1 Cl8
3
[ 1, 1, 1 ]
3
[ [ 7.00052896, 0, 0 ], [ 0, 7.00052896, 0 ], [ -3.50026448, -3.50026447, 6.3220667 ] ]
agm003521559
[ [ 3.5002644799999993, 4.999999969612645e-9, 3.16103335 ], [ 0, 3.5002644849999998, 3.16103335 ], [ 3.50026448, 3.50026448, 0 ], [ 4.714269925256955, 1.1808907755311688, 1.529302560973305 ], [ -2.3193737068878226, 1.2140054528379636, 4.792764139026695 ], [ 2.319366706358862, -1.2140054376759468, 4.792764139026695 ], [ -1.2140054452569553, -2.319366698777854, 4.792764139026695 ], [ 2.2862590347430447, 5.819631188777854, 1.529302560973305 ], [ 5.819638186887822, 4.7142699276759465, 1.529302560973305 ], [ 1.1808977736411375, 2.286259037162036, 1.529302560973305 ], [ 1.214005445256955, 2.3193737144688304, 4.792764139026695 ] ]
[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
[ "Ag", "Ag", "Pb", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.18181818181818182, 0.7272727272727273, 0.09090909090909091 ]
[ [ 1.3880547, 0, 0 ], [ 0, 1.3880547, 0 ], [ 0, 0, 1.164806 ] ]
-29.022843
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00035339, 0.00104283, 0.00137522 ], [ 0.00104283, -0.00035339, -0.00137522 ], [ -0.00104283, 0.00035339, -0.00137522 ], [ 0.00035339, 0.00104283, -0.00137522 ], [ 0.00035339, -0.00104283, 0.00137522 ], [ -0.00104283, -0.00035339, 0.00137522 ], [ 0.00104283, 0.00035339, 0.00137522 ], [ -0.00035339, -0.00104283, -0.00137522 ] ]
0
-0.568023
pbe
true
5eaffa800753577888fdbcf03e08aa33_97_Ag2Pb1Cl8
[ "Mn", "Pt", "Ta" ]
4
A2BC
MnPt2Ta
Ta1 Mn1 Pt2
3
[ 1, 1, 1 ]
3
[ [ 2.84361016, 0, 0 ], [ 0, 3.93888881, 0 ], [ 0, 0, 5.55314298 ] ]
agm003165617
[ [ 1.42180508, 1.969444405, 4.1648572349999995 ], [ 0, 0, 5.525065289527383 ], [ 0, 0, 2.804649180472616 ], [ 1.42180508, 1.969444405, 1.388285745 ] ]
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Mn", "Pt", "Pt", "Ta" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 8.039902, 0, 0 ], [ 0, 6.0232773, 0 ], [ 0, 0, 1.0178484 ] ]
-35.258375
[ 3.365, 0.097, 0.097, -0.215 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.0015018 ], [ 0, 0, -0.0015018 ], [ 0, 0, 0 ] ]
3.383485
2.732935
pbe
true
f8c76795b59af6d1b9b3ee12372c83cf_47_Ta1Mn1Pt2
[ "Bi", "Gd", "Pt" ]
4
A2BC
Bi2GdPt
Gd1 Bi2 Pt1
3
[ 1, 1, 1 ]
3
[ [ 3.70518759, 0, 0 ], [ 1.8525938, 3.20878658, 0 ], [ 1.8525938, 1.06959553, 10.07527095 ] ]
agm001997741
[ [ 0, 0, 0 ], [ 1.8525956330050388, 1.0695965878367517, 6.862811713192557 ], [ 5.557779556994961, 3.2087855221632484, 3.212459236807443 ], [ 3.705187595, 2.139191055, 5.037635475 ] ]
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Gd", "Bi", "Bi", "Pt" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 2.0495749, 0, 0 ], [ 0, 2.0495749, 0 ], [ 0, 0, 1.9129552 ] ]
-28.115668
[ 7.117, -0.01, -0.01, 0.001 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.00011117 ], [ 0, 0, -0.00011117 ], [ 0, 0, 0 ] ]
7.33931
5.358833
pbe
true
729a7f84fe1654ee654f4b07a87375a9_166_Gd1Bi2Pt1
[ "Mn", "Re", "Se", "Tc" ]
12
ABCD
MnReSeTc
Mn3 Re3 Tc3 Se3
4
[ 1, 1, 1 ]
3
[ [ 2.84552081, 0, 0 ], [ -1.4227604, 2.46429331, 0 ], [ 0, 0, 24.36282151 ] ]
agm002101216
[ [ 0, 0, 14.098846666917273 ], [ -0.0000014194270700641683, 1.64286302809777, 5.977914284524444 ], [ 1.42276182942707, 0.82143028190223, 22.2197790493101 ], [ 0, 0, 24.219745237233578 ], [ -0.0000014194270700641683, 1.64286302809777, 16.098812854840748 ], [ 1.42276182942707, 0.82143028190223, 7.977856109626408 ], [ 0, 0, 18.256892048966616 ], [ -0.0000014194270700641683, 1.64286302809777, 10.135959666573786 ], [ 1.42276182942707, 0.82143028190223, 2.015002921359446 ], [ 0, 0, 4.088185234997633 ], [ -0.0000014194270700641683, 1.64286302809777, 20.330074362604805 ], [ 1.42276182942707, 0.82143028190223, 12.209117617390463 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
[ "Mn", "Mn", "Mn", "Re", "Re", "Re", "Tc", "Tc", "Tc", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 5.342212, 0, 0 ], [ 0, 5.342212, 0 ], [ 0, 0, 6.1412697 ] ]
-104.044041
[ 0.996, 0.996, 0.996, -0.119, -0.119, -0.119, 0.042, 0.042, 0.042, -0.038, -0.038, -0.038 ]
[ [ 0, 0, -0.00960842 ], [ 0, 0, -0.00960842 ], [ 0, 0, -0.00960842 ], [ 0, 0, 0.00932285 ], [ 0, 0, 0.00932285 ], [ 0, 0, 0.00932285 ], [ 0, 0, 0.00338884 ], [ 0, 0, 0.00338884 ], [ 0, 0, 0.00338884 ], [ 0, 0, -0.00310327 ], [ 0, 0, -0.00310327 ], [ 0, 0, -0.00310327 ] ]
2.664176
11.197109
pbe
true
dd8b478c5c9281b8f9e7613217af0af6_160_Mn3Re3Tc3Se3
[ "Bi", "Ge", "Lu" ]
4
A2BC
BiGe2Lu
Bi1 Ge2 Lu1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.658047861, 3.658047861 ], [ 3.658047861, 0, 3.658047861 ], [ 3.658047861, 3.658047861, 0 ] ]
oqmd-5701438
[ [ 3.65805, 3.65805, 3.65805 ], [ 0, 0, 0 ], [ 5.48707, 5.48707, 5.48707 ], [ 1.82902, 1.82902, 1.82902 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
[ "Bi", "Ge", "Ge", "Lu" ]
2024-11-01 00:00:00
[ 0.25, 0.5, 0.25 ]
[ [ 2.37666395, 0, 0 ], [ 0, 2.37666395, 0 ], [ 0, 0, 2.37666395 ] ]
-17.8017
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000001
null
pbe
true
2ea693e35a9d286dd5d1864e9b917167_216_Lu1Ge2Bi1
[ "Mn", "Rh", "Si", "U" ]
5
A2BCD
MnRhSi2U
U1 Mn1 Si2 Rh1
4
[ 1, 1, 1 ]
3
[ [ 4.05148563, 0, 0 ], [ 0, 4.05148563, 0 ], [ -2.02574282, -2.02574282, 4.8145727 ] ]
agm005019522
[ [ 0, 0, 0 ], [ 2.0257428125, -2.4999999848063226e-9, 2.40728635 ], [ 2.0257427935022707, 2.0257427935022707, 1.194304589062445 ], [ 1.649773012345987e-8, 1.649773012345987e-8, 3.620268110937555 ], [ -2.4999999848063226e-9, 2.0257428125, 2.40728635 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "U", "Mn", "Si", "Si", "Rh" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 5.2791905, 0, 0 ], [ 0, 5.2791905, 0 ], [ 0, 0, 5.127159 ] ]
-41.680543
[ 1.893, -0.984, 0.008, 0.008, -0.024 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00276157 ], [ 0, 0, -0.00276157 ], [ 0, 0, 0 ] ]
1.070307
4.56811
pbe
true
2ef96a29dd1e35738d531385c0e16b31_119_U1Mn1Si2Rh1
[ "Mn", "S", "Si", "Tl" ]
20
A6B2CD
MnS6Si2Tl
Mn2 Tl2 Si4 S12
4
[ 1, 1, 1 ]
3
[ [ 6.14436023, -0.03090831, -0.03207584 ], [ 1.90417566, 9.19164619, -0.65339717 ], [ 1.90417566, -0.99360255, 9.16111573 ] ]
agm004977088
[ [ 3.4402657175, 1.1901548711926366, 7.041380754847589 ], [ 6.5124458325, 6.976980458807363, 1.4342619651524111 ], [ 3.4402657175, 8.08724598234509, 0.3953388749827011 ], [ 6.5124458325, 0.07988934765491064, 8.0803038450173 ], [ 4.8807793714402985, 6.44643344044727, 5.197963724512652 ], [ 1.9997520635597015, 3.227109931271831, 1.857032694213264 ], [ 5.071932178559702, 1.7207018895527302, 3.2776789954873493 ], [ 7.952959486440299, 4.940025398728169, 6.618610025786737 ], [ 5.127772104201068, 8.046649586605588, 6.596313047252651 ], [ 1.752759330798932, 1.8890273559829098, 0.20609127691625362 ], [ 4.824939445798933, 0.12048574339441213, 1.8793296727473499 ], [ 8.199952219201068, 6.278107974017091, 8.269551443083747 ], [ 5.118542811110605, 7.085273466414347, 3.188710123259046 ], [ 1.761988623889395, 5.258659401570357, 1.2930970854482953 ], [ 4.834168738889395, 1.0818618635856525, 5.286932596740955 ], [ 8.190722926110606, 2.908475928429642, 7.182545634551706 ], [ 2.783420252009292, 5.858412127705889, 4.951310154883162 ], [ 4.097111182990709, 3.451801217615159, 2.4537913346238764 ], [ 7.169291297990708, 2.3087232022941113, 3.5243325651168393 ], [ 5.855600367009292, 4.715334112384841, 6.021851385376124 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}]
[ "Mn", "Mn", "Tl", "Tl", "Si", "Si", "Si", "Si", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.1, 0.6, 0.2, 0.1 ]
[ [ 0.96886253, -0.17773202, -0.18444571 ], [ -0.177732, 1.1501354, 0.00857391 ], [ -0.1844457, 0.00857391, 1.1507714 ] ]
-102.871099
[ 3.497, 3.497, 0.012, 0.012, 0.02, 0.02, 0.02, 0.02, 0.002, 0.002, 0.002, 0.002, 0.014, 0.014, 0.014, 0.014, 0.005, 0.005, 0.005, 0.005 ]
[ [ 0, -0.00381865, 0.00367966 ], [ 0, 0.00381865, -0.00367966 ], [ 0, -0.00004503, 0.00004339 ], [ 0, 0.00004503, -0.00004339 ], [ 0.00153537, -0.00080573, 0.00196559 ], [ -0.00153537, -0.0019941, 0.00073233 ], [ -0.00153537, 0.00080573, -0.00196559 ], [ 0.00153537, 0.0019941, -0.00073233 ], [ -0.00231218, -0.00541817, -0.00243725 ], [ 0.00231218, 0.00223477, 0.00550477 ], [ 0.00231218, 0.00541817, 0.00243725 ], [ -0.00231218, -0.00223477, -0.00550477 ], [ 0.00028378, -0.00264415, 0.00715031 ], [ -0.00028378, -0.0072434, 0.00237734 ], [ -0.00028378, 0.00264415, -0.00715031 ], [ 0.00028378, 0.0072434, -0.00237734 ], [ 0.00118583, -0.00331957, 0.00784572 ], [ -0.00118583, -0.00796336, 0.00302652 ], [ -0.00118583, 0.00331957, -0.00784572 ], [ 0.00118583, 0.00796336, -0.00302652 ] ]
7.990415
1.320309
pbe
true
bef87b54bb957a911106ac6505d8682d_15_Mn2Tl2Si4S12
[ "As", "Dy", "Zr" ]
3
ABC
AsDyZr
As1 Dy1 Zr1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.471219439, 3.471219439 ], [ 3.471219439, 0, 3.471219439 ], [ 3.471219439, 3.471219439, 0 ] ]
oqmd-5033746
[ [ 1.7356100000000023, 1.7356100000000023, 1.7356100000000023 ], [ 0, 0, 0 ], [ 5.20683, 5.20683, 5.20683 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]
[ "As", "Dy", "Zr" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 5.62962691, 0, 0 ], [ 0, 5.62962691, 0 ], [ 0, 0, 5.62962691 ] ]
-16.5238
[ -0.049, 1.11, 1.713 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.65427
null
pbe
true
afd598a5a44335e84652022ea86ec532_216_Dy1Zr1As1
[ "As", "Er", "Pd" ]
17
A12B4C
As4ErPd12
Er1 As4 Pd12
3
[ 1, 1, 1 ]
3
[ [ 7.41178152, -0.00010026, -0.00016284 ], [ -2.47068837, 6.98785624, -0.00014927 ], [ -2.47067954, -3.49405426, 6.05159455 ] ]
agm003590833
[ [ -2.470672647002393, -3.49404901907806, 6.0515894664875605 ], [ -1.2353426038369941, 3.49392731634197, -0.000073364209247 ], [ 3.7058885857351016, -0.00004639160700800001, -0.00007724456857130001 ], [ 1.2352099674577404, 1.7468507203276806, 3.025636862898876 ], [ 3.70575276237283, 5.2407246223279556, 3.0254867990251113 ], [ 4.936034382328556, 1.7505511497676713, 1.0756834470466374 ], [ 0.8783609195381769, 2.9364244237505424, 0.978010892300942 ], [ 4.062713518334518, -1.1787890256979332, 3.9974149626723907 ], [ 0.005087782887488171, -1.6870642522621162, 5.0734467685838 ], [ -1.592299933044502, 4.672491339668495, 2.0538672957676956 ], [ 1.5920555316829925, 0.5572739769863714, 5.073271850305247 ], [ 2.4757100744302356, -0.05647903799172701, 2.053857516666897 ], [ -0.005296439701713844, 3.5501834134416232, 3.997422260622273 ], [ 2.4653211575812013, 5.180762722784958, 0.9778426307677093 ], [ 3.3489166243208115, 2.87264036884356, 3.0192467051236815 ], [ -0.8785046696236337, 0.621056704186758, 3.0320388212816796 ], [ -2.46562618314011, 1.7431548676138429, 4.975605952101321 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "Er", "As", "As", "As", "As", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd" ]
2023-11-16 06:57:59
[ 0.23529411764705882, 0.058823529411764705, 0.7058823529411765 ]
[ [ 3.9489102, -0.00175325, -0.00294234 ], [ -0.00175328, 3.947647, -0.00335729 ], [ -0.00294218, -0.00335739, 3.943958 ] ]
-89.97516
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00011835, -0.00025459, 0.00069134 ], [ -0.00002086, 0.00000641, -0.00003646 ], [ 0.0000938, -0.00004224, -0.00009721 ], [ -0.0001031, -0.00001989, 0.00003757 ], [ 0.00002905, 0.00007211, -0.00006708 ], [ 0.00230183, -0.00148838, 0.00512293 ], [ 0.00417163, -0.00083035, -0.00393739 ], [ -0.00427332, -0.00395357, -0.00140316 ], [ -0.00217139, 0.00370932, 0.00401169 ], [ 0.00427414, 0.00400398, 0.0013071 ], [ -0.00414702, 0.00088329, 0.00382978 ], [ -0.00219507, -0.00526788, 0.00122267 ], [ 0.00221387, 0.00526726, -0.00124795 ], [ 0.00218219, -0.00363894, -0.00411062 ], [ 0.00413517, -0.00290253, 0.00260933 ], [ -0.0040967, 0.00293073, -0.00272321 ], [ -0.00227587, 0.00152528, -0.00520932 ] ]
-0
3.729578
pbe
true
b6e72113fad74516e64b004c44f14ebc_204_Er1As4Pd12
[ "Au", "Hg", "La" ]
3
ABC
AuHgLa
La1 Hg1 Au1
3
[ 1, 1, 1 ]
3
[ [ 4.93322767, 0, 0 ], [ -2.46661383, 4.27230048, 0 ], [ 0, 0, 3.62727314 ] ]
agm003161064
[ [ 0, 0, 0.6049286117405591 ], [ 2.4666138613328052, 1.4241001457589983, 0.6053976181575611 ], [ -2.1332805064276676e-8, 2.848200334241002, 2.416946873829148 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Au", "Hg", "La" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 4.078301, 0, 0 ], [ 0, 4.078301, 0 ], [ 0, 0, 3.7595901 ] ]
-10.49078
[ 0, 0, 0 ]
[ [ 0, 0, -0.0018338 ], [ 0, 0, -0.00358367 ], [ 0, 0, 0.00541747 ] ]
0.00001
1.534165
pbe
true
23693ede5eabbfc57b22cb5a845a7fca_187_La1Hg1Au1
[ "Rh", "Si", "Ti" ]
4
A2BC
RhSiTi2
Ti2 Si1 Rh1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.1078943, 3.1078943 ], [ 3.1078943, 0, 3.1078943 ], [ 3.1078943, 3.1078943, 0 ] ]
agm002737961
[ [ 0, 0, 0 ], [ 3.1078943, 3.1078943, 3.1078943 ], [ 1.55394715, 1.55394715, 1.55394715 ], [ 4.66184145, 4.66184145, 4.66184145 ] ]
[{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Si", "Rh", "Ti", "Ti" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 7.821711, 0, 0 ], [ 0, 7.821711, 0 ], [ 0, 0, 7.821711 ] ]
-30.720454
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000002
6.64226
pbe
true
06e3a234b9c00b8c453ca733fc305ef1_225_Ti2Si1Rh1
[ "Au", "Ir", "Li" ]
3
ABC
AuIrLi
Li1 Ir1 Au1
3
[ 1, 1, 1 ]
3
[ [ 2.74239313, 0, 0 ], [ -1.37119656, 2.37498211, 0 ], [ 0, 0, 7.01184856 ] ]
agm004348413
[ [ 0, 0, 6.898559384948821 ], [ 1.3711965803786323, 0.7916606954167262, 2.4928251239603014 ], [ -1.0378632433247921e-8, 1.5833214145832737, 4.632312611090877 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Au", "Ir", "Li" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 4.7084336, 0, 0 ], [ 0, 4.7084336, 0 ], [ 0, 0, 3.4968834 ] ]
-14.203358
[ 0, -0.001, 0 ]
[ [ 0, 0, 0.00481036 ], [ 0, 0, 0.00211872 ], [ 0, 0, -0.00692908 ] ]
-0.000532
2.957003
pbe
true
9c8daa6f61bb04f266100980313d7174_156_Li1Ir1Au1
[ "Bi", "Ge", "Nb" ]
5
A3BC
BiGeNb3
Nb3 Ge1 Bi1
3
[ 1, 1, 1 ]
3
[ [ 4.83210703, 0, 0 ], [ 0, 4.83210703, 0 ], [ 0, 0, 4.83210703 ] ]
agm002484793
[ [ 0, 2.416053515, 0 ], [ 0, 0, 2.416053515 ], [ 2.416053515, 0, 0 ], [ 0, 0, 0 ], [ 2.416053515, 2.416053515, 2.416053515 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}]
[ "Nb", "Nb", "Nb", "Ge", "Bi" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ 0.9459249, 0, 0 ], [ 0, 0.9459249, 0 ], [ 0, 0, 0.9459249 ] ]
-34.849551
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
5.993254
pbe
true
8235d5912e69d19e844d4a202df2b161_221_Nb3Ge1Bi1
[ "Mn", "Si", "Tb", "V" ]
5
A2BCD
MnSi2TbV
Tb1 Mn1 V1 Si2
4
[ 1, 1, 1 ]
3
[ [ 3.90942767, 0, 0 ], [ 0, 3.90942767, 0 ], [ -1.95471384, -1.95471384, 5.35859342 ] ]
agm005019672
[ [ 0, 0, 0 ], [ -2.4999999848063226e-9, 1.9547138325, 2.67929671 ], [ 1.9547138325, -2.4999999848063226e-9, 2.67929671 ], [ 1.9547138534127306, 1.9547138534127306, 1.215765980949401 ], [ -2.3412730597832356e-8, -2.3412730597832356e-8, 4.142827439050599 ] ]
[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Tb", "Mn", "V", "Si", "Si" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 2.113636, 0, 0 ], [ 0, 2.113636, 0 ], [ 0, 0, 2.4851353 ] ]
-36.719586
[ -0.079, 2.025, -1.059, -0.018, -0.018 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00646333 ], [ 0, 0, -0.00646333 ] ]
0.69781
2.378622
pbe
true
b7f04f076af1573947fd663ee89775d5_119_Tb1Mn1V1Si2
[ "Rh", "Tc", "Y" ]
4
A2BC
RhTc2Y
Y1 Tc2 Rh1
3
[ 1, 1, 1 ]
3
[ [ 2.84260795, 0, 0 ], [ 0, 4.01425941, 0 ], [ 0, 0, 6.20317468 ] ]
agm004383288
[ [ 1.421303975, 2.007129705, 4.65238101 ], [ 0, 0, 5.862581310067516 ], [ 0, 0, 3.442180709932484 ], [ 1.421303975, 2.007129705, 1.55079367 ] ]
[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Rh", "Tc", "Tc", "Y" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 13.535507, 0, 0 ], [ 0, 4.3194313, 0 ], [ 0, 0, 1.7651211 ] ]
-33.615487
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.00296484 ], [ 0, 0, -0.00296484 ], [ 0, 0, 0 ] ]
-0.00005
5.767087
pbe
true
e0078ed170fb750334c13e26cb6e9dc6_47_Y1Tc2Rh1
[ "Ru", "Sb", "Sr" ]
4
A2BC
Ru2SbSr
Sr1 Sb1 Ru2
3
[ 1, 1, 1 ]
3
[ [ 4.75051968, 0, 0 ], [ 2.37525984, 4.11407073, 0 ], [ 2.37525984, 1.37135691, 3.87878308 ] ]
agm002357921
[ [ 7.12577952, 4.11407073, 2.90908731 ], [ 2.37525984, 1.37135691, 0.96969577 ], [ 0, 0, 0 ], [ 4.75051968, 2.74271382, 1.93939154 ] ]
[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sb", "Sr", "Ru", "Ru" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 4.445895, 0, 0 ], [ 0, 4.445895, 0 ], [ 0, 0, 4.445895 ] ]
-23.36441
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000072
6.069065
pbe
true
5590778064abd20280fb00893ef160d5_225_Sr1Sb1Ru2
[ "Mo", "N", "Nd", "W" ]
80
A12B3C3D2
Mo3N12Nd3W2
Mo3 N12 Nd3 W2
4
[ 1, 1, 1 ]
3
[ [ -6.452831444, 6.452831444, 6.452831444 ], [ 6.452831444, -6.452831444, 6.452831444 ], [ 6.452831444, 6.452831444, -6.452831444 ] ]
oqmd-7681340
[ [ 1.6132100000000005, -2.529925440530591e-16, 9.67925 ], [ -3.2264199999999996, 4.83962, 6.452829999999999 ], [ -5.059850881061183e-16, 3.2264200000000005, 4.839620000000001 ], [ 6.45283, -3.22642, 4.83962 ], [ 3.2264199999999996, 1.6132099999999994, 6.452829999999999 ], [ 4.83962, 8.05862453110643e-17, 3.22642 ], [ 1.613209999999999, 6.45283, 3.2264200000000005 ], [ 3.22642, 4.83962, -4.627795769050714e-16 ], [ -1.484170693056877e-16, 9.67925, 1.6132100000000007 ], [ 6.45283, 3.2264199999999996, 1.613209999999999 ], [ 4.83962, 6.45283, -3.2264199999999996 ], [ 9.67925, 1.6132100000000005, 4.3205511201047025e-17 ], [ 3.8520600000000007, -3.6613500000000014, 7.779390000000001 ], [ -0.43493, 0.6256500000000002, 1.89986 ], [ 0.4349300000000002, 0.6256499999999997, 8.35269 ], [ -2.6007699999999994, 3.66135, 7.77939 ], [ -0.6256499999999998, 1.89986, 6.017899999999999 ], [ -1.3265599999999993, 2.600769999999999, 10.11418 ], [ 2.791480000000001, -1.3265600000000006, 9.0536 ], [ 1.89986, -0.4349299999999999, 0.6256500000000002 ], [ 1.8998600000000003, 0.43492999999999976, 5.82719 ], [ 3.661350000000001, -1.32656, 3.8520599999999994 ], [ 0.6256500000000002, 1.89986, -0.4349299999999999 ], [ -1.3265599999999995, 3.85206, 3.66135 ], [ 1.3265599999999995, 2.6007699999999994, 3.66135 ], [ 5.827189999999999, -1.89986, 6.017899999999999 ], [ -3.661350000000001, 7.779390000000001, 3.85206 ], [ -1.8998599999999997, 6.0179, 5.827189999999999 ], [ 3.66135, 1.3265599999999995, 2.60077 ], [ 4.552979999999999, 0.43493000000000065, 7.078480000000001 ], [ 7.77939, -2.60077, 3.661350000000001 ], [ 0.6256499999999993, 4.552980000000001, 6.0179 ], [ 2.6007699999999994, 2.7914800000000004, 7.77939 ], [ 6.017899999999999, -0.6256499999999999, 1.89986 ], [ 0.4349299999999998, 5.82719, 1.89986 ], [ 2.60077, 3.66135, 1.3265599999999995 ], [ 3.8520600000000007, 2.79148, 5.126269999999999 ], [ 6.0179, 0.6256499999999998, 4.552980000000001 ], [ 0.4349300000000003, 7.07848, 4.55298 ], [ 3.85206, 3.66135, -1.32656 ], [ -1.326560000000001, 9.0536, 2.7914800000000004 ], [ 5.82719, 1.89986, 0.4349299999999997 ], [ 1.89986, 6.0179, -0.6256499999999999 ], [ 2.79148, 5.126269999999999, 3.85206 ], [ 8.352690000000003, 0.43492999999999976, 0.6256499999999997 ], [ 10.11418, -1.326559999999999, 2.600769999999999 ], [ 0.6256499999999997, 8.352690000000003, 0.4349300000000002 ], [ 5.126269999999999, 3.8520600000000007, 2.79148 ], [ 7.77939, 2.6007699999999994, 2.79148 ], [ 5.82719, 4.552979999999999, 6.88777 ], [ 2.7914800000000004, 7.77939, 2.600769999999999 ], [ 4.55298, 6.0179, 0.6256499999999997 ], [ 3.661350000000001, 7.77939, -2.60077 ], [ 4.55298, 6.887770000000001, 5.827189999999999 ], [ 7.779390000000001, 3.8520600000000007, -3.661350000000001 ], [ 7.07848, 4.552979999999999, 0.43493000000000026 ], [ 9.0536, 2.791480000000001, -1.3265600000000006 ], [ 6.0179, 5.827189999999999, -1.89986 ], [ 2.600769999999999, 10.11418, -1.3265599999999986 ], [ 6.88777, 5.82719, 4.552980000000001 ], [ 1.6132099999999996, 4.1314127072203483e-16, 3.2264199999999996 ], [ 3.22642, -1.6132100000000005, 6.452829999999999 ], [ 6.042379365190384e-16, 3.226419999999999, 1.6132099999999991 ], [ 1.6014872666897562e-16, 3.2264199999999996, 8.066039999999997 ], [ 3.2264199999999996, 1.6132099999999996, 2.29003314616752e-16 ], [ -1.6132099999999998, 6.45283, 3.2264200000000005 ], [ 8.06604, -2.536286274103284e-16, 3.2264200000000005 ], [ 3.2264200000000005, 4.83962, 6.452829999999999 ], [ 6.45283, 3.22642, -1.6132099999999998 ], [ 6.452829999999999, 3.2264200000000005, 4.83962 ], [ 3.2264199999999996, 8.06604, -1.2856470418367855e-16 ], [ 4.83962, 6.45283, 3.2264200000000005 ], [ 0, 0, 0 ], [ -3.22642, 3.22642, 3.22642 ], [ -6.360833572692582e-19, 6.360833572692582e-19, 6.452829999999999 ], [ 3.22642, -3.22642, 3.22642 ], [ -6.360833572692582e-19, 6.452829999999999, 6.360833572692582e-19 ], [ 6.452829999999999, -6.360833572692582e-19, 6.360833572692582e-19 ], [ 3.22642, 3.22642, -3.22642 ], [ 3.2264199999999996, 3.22642, 3.22642 ] ]
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "W", "W", "W", "W", "W", "W", "W", "W" ]
2024-11-01 00:00:00
[ 0.15, 0.6, 0.15, 0.1 ]
[ [ 34.5905933, 0, 0 ], [ 0, 34.5905933, 0 ], [ 0, 0, 34.5905933 ] ]
-748.158
[ 0.003, 0.003, 0.003, 0.003, 0.003, 0.003, 0.003, 0.003, 0.003, 0.003, 0.003, 0.003, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.006, 0.005, 0.005, 0.005, 0.005, 0.005, 0.005, 0.005 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.001619, -0.00168, -0.00979 ], [ -0.00168, -0.001619, 0.00979 ], [ 0.00168, -0.001619, 0.00979 ], [ -0.001619, 0.00168, -0.00979 ], [ 0.001619, 0.00979, -0.00168 ], [ 0.00979, 0.001619, 0.00168 ], [ -0.00168, 0.00979, 0.001619 ], [ 0.00979, -0.00168, -0.001619 ], [ 0.00979, 0.00168, 0.001619 ], [ 0.00168, 0.00979, -0.001619 ], [ -0.001619, 0.00979, -0.00168 ], [ 0.00979, -0.001619, 0.00168 ], [ -0.00979, 0.001619, 0.00168 ], [ 0.001619, -0.00979, -0.00168 ], [ -0.00168, -0.00979, -0.001619 ], [ -0.00979, -0.00168, 0.001619 ], [ 0.00168, -0.00979, 0.001619 ], [ -0.00979, 0.00168, -0.001619 ], [ -0.00979, -0.001619, 0.00168 ], [ -0.001619, -0.00979, -0.00168 ], [ 0.001619, -0.00168, -0.00979 ], [ -0.00168, 0.001619, 0.00979 ], [ 0.00168, 0.001619, 0.00979 ], [ 0.001619, 0.00168, -0.00979 ], [ -0.001619, -0.00168, 0.00979 ], [ -0.00168, -0.001619, -0.00979 ], [ 0.00168, -0.001619, -0.00979 ], [ -0.001619, 0.00168, 0.00979 ], [ 0.00979, 0.001619, -0.00168 ], [ 0.001619, 0.00979, 0.00168 ], [ 0.00979, -0.00168, 0.001619 ], [ -0.00168, 0.00979, -0.001619 ], [ 0.00979, 0.00168, -0.001619 ], [ 0.00168, 0.00979, 0.001619 ], [ -0.001619, 0.00979, 0.00168 ], [ 0.00979, -0.001619, -0.00168 ], [ -0.00979, 0.001619, -0.00168 ], [ 0.001619, -0.00979, 0.00168 ], [ -0.00168, -0.00979, 0.001619 ], [ -0.00979, -0.00168, -0.001619 ], [ 0.00168, -0.00979, -0.001619 ], [ -0.00979, 0.00168, 0.001619 ], [ -0.00979, -0.001619, -0.00168 ], [ -0.001619, -0.00979, 0.00168 ], [ 0.001619, -0.00168, 0.00979 ], [ -0.00168, 0.001619, -0.00979 ], [ 0.001619, 0.00168, 0.00979 ], [ 0.00168, 0.001619, -0.00979 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.120687
null
pbe
true
2e703bdaedf7b2fd73416ceaed898162_230_Nd12Mo12W8N48
[ "Bi", "Ge", "Pb" ]
10
A2B2C
Bi2GePb2
Ge2 Bi4 Pb4
3
[ 1, 1, 1 ]
3
[ [ 7.87227367, 0, 0 ], [ 0, 7.87227367, 0 ], [ 0, 0, 5.1528901 ] ]
agm002981138
[ [ 2.735135678858497, 6.671272513858497, 0 ], [ 6.671272513858497, 5.137137991141503, 0 ], [ 5.137137991141503, 1.201001156141503, 0 ], [ 1.201001156141503, 2.735135678858497, 0 ], [ 0, 0, 0 ], [ 3.936136835, 3.936136835, 0 ], [ 1.1229296139194853, 5.059066448919485, 2.57644505 ], [ 5.059066448919485, 6.749344056080515, 2.57644505 ], [ 6.749344056080515, 2.8132072210805146, 2.57644505 ], [ 2.8132072210805146, 1.1229296139194853, 2.57644505 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}]
[ "Pb", "Pb", "Pb", "Pb", "Ge", "Ge", "Bi", "Bi", "Bi", "Bi" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.4 ]
[ [ 4.1024127, 0, 0 ], [ 0, 4.1024127, 0 ], [ 0, 0, 2.5403867 ] ]
-36.515108
[ -0.001, 0.001, -0.001, 0.001, 0, 0, -0.001, 0.001, 0.001, -0.001 ]
[ [ -0.00005193, -0.00005193, 0 ], [ -0.00005193, 0.00005193, 0 ], [ 0.00005193, 0.00005193, 0 ], [ 0.00005193, -0.00005193, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01389673, -0.01389673, 0 ], [ -0.01389673, 0.01389673, 0 ], [ 0.01389673, 0.01389673, 0 ], [ 0.01389673, -0.01389673, 0 ] ]
0
6.882814
pbe
true
8a081784be52a0b2e09399b770fc4386_127_Ge2Bi4Pb4
[ "Mo", "N", "Re", "Tb" ]
80
A12B3C3D2
Mo2N12Re3Tb3
Mo2 N12 Re3 Tb3
4
[ 1, 1, 1 ]
3
[ [ -6.359613127, 6.359613127, 6.359613127 ], [ 6.359613127, -6.359613127, 6.359613127 ], [ 6.359613127, 6.359613127, -6.359613127 ] ]
oqmd-7679990
[ [ 0, 0, 0 ], [ -3.17981, 3.17981, 3.17981 ], [ 3.17981, -3.17981, 3.17981 ], [ 1.330829643781263e-16, -1.330829643781263e-16, 6.35961 ], [ 3.17981, 3.17981, -3.17981 ], [ 1.330829643781263e-16, 6.35961, -1.330829643781263e-16 ], [ 6.35961, 1.330829643781263e-16, -1.330829643781263e-16 ], [ 3.17981, 3.17981, 3.17981 ], [ 3.8435100000000006, -3.6005300000000005, 7.630950000000001 ], [ -0.4207200000000001, 0.6637100000000001, 1.90847 ], [ -2.5161, 3.60053, 7.63095 ], [ 0.4207200000000001, 0.6637099999999998, 8.26808 ], [ -0.6637099999999996, 1.90847, 5.938890000000001 ], [ -1.271339999999999, 2.516099999999999, 9.96014 ], [ 2.7590799999999995, -1.2713399999999992, 8.875710000000002 ], [ 1.9084700000000003, -0.42072000000000015, 0.6637100000000002 ], [ 3.6005300000000005, -1.27134, 3.84351 ], [ 1.9084700000000003, 0.4207200000000001, 5.69591 ], [ 0.6637100000000002, 1.9084700000000003, -0.42072000000000015 ], [ -1.2713399999999997, 3.84351, 3.60053 ], [ 1.2713400000000004, 2.5161, 3.60053 ], [ 5.69591, -1.90847, 5.93889 ], [ -3.6005300000000005, 7.63095, 3.84351 ], [ -1.9084700000000008, 5.938890000000001, 5.6959100000000005 ], [ 3.60053, 1.27134, 2.5161 ], [ 4.451149999999999, 0.42072000000000065, 7.023319999999999 ], [ 0.6637100000000004, 4.45115, 5.938890000000001 ], [ 7.630950000000001, -2.5161, 3.6005300000000005 ], [ 5.93889, -0.6637099999999996, 1.9084699999999992 ], [ 2.5161, 2.75908, 7.630950000000001 ], [ 0.4207200000000004, 5.69591, 1.9084699999999997 ], [ 2.5161, 3.6005300000000005, 1.2713399999999997 ], [ 3.8435100000000006, 2.75908, 5.0882700000000005 ], [ 5.938890000000001, 0.6637100000000006, 4.45115 ], [ 3.84351, 3.6005300000000005, -1.27134 ], [ 0.42072000000000126, 7.023319999999999, 4.451149999999998 ], [ -1.2713399999999997, 8.87571, 2.75908 ], [ 5.69591, 1.90847, 0.4207200000000006 ], [ 1.90847, 5.93889, -0.6637099999999996 ], [ 2.7590799999999995, 5.088270000000001, 3.843510000000001 ], [ 8.26808, 0.42072000000000026, 0.6637099999999996 ], [ 9.96014, -1.2713399999999992, 2.5160999999999984 ], [ 0.6637099999999994, 8.26808, 0.4207200000000004 ], [ 5.088270000000001, 3.84351, 2.75908 ], [ 7.630950000000001, 2.5161, 2.7590799999999995 ], [ 5.69591, 4.451150000000001, 6.780340000000001 ], [ 4.45115, 5.938890000000001, 0.6637100000000004 ], [ 2.7590800000000004, 7.63095, 2.5161 ], [ 3.60053, 7.630950000000001, -2.5161 ], [ 4.45115, 6.780340000000001, 5.69591 ], [ 7.63095, 3.8435100000000006, -3.6005300000000005 ], [ 7.02332, 4.451149999999999, 0.4207200000000007 ], [ 5.93889, 5.69591, -1.90847 ], [ 8.87571, 2.7590799999999995, -1.2713399999999992 ], [ 2.5160999999999993, 9.96014, -1.2713399999999997 ], [ 6.78034, 5.69591, 4.45115 ], [ -3.1798099999999994, 4.76971, 6.35961 ], [ 1.5898999999999994, 5.499153397711059e-16, 9.539420000000002 ], [ 1.8900519135350764e-16, 3.1798099999999994, 4.76971 ], [ 6.35961, -3.17981, 4.769710000000001 ], [ 4.76971, 2.2653649843589607e-16, 3.1798099999999994 ], [ 3.1798100000000007, 1.5899, 6.35961 ], [ 3.1798099999999994, 4.76971, 6.036215710508797e-16 ], [ 1.5898999999999996, 6.359610000000001, 3.1798100000000007 ], [ 4.530729968717921e-16, 9.53942, 1.5898999999999996 ], [ 6.35961, 3.1798100000000007, 1.5899000000000003 ], [ 4.769710000000001, 6.35961, -3.17981 ], [ 9.53942, 1.5899, 5.28558956886103e-16 ], [ 1.5899000000000003, -2.272407774665037e-16, 3.17981 ], [ 3.17981, -1.5899000000000003, 6.359610000000001 ], [ -4.771286234215863e-16, 3.17981, 1.5899000000000003 ], [ -4.771286234215863e-16, 3.17981, 7.9495200000000015 ], [ -1.5899000000000008, 6.359610000000001, 3.17981 ], [ 3.17981, 1.5899000000000003, -2.2653649843589607e-16 ], [ 3.17981, 4.769709999999999, 6.35961 ], [ 7.9495200000000015, -3.416518887705633e-16, 3.17981 ], [ 6.359610000000001, 3.17981, -1.5899000000000003 ], [ 6.359610000000001, 3.17981, 4.769709999999999 ], [ 3.17981, 7.949520000000001, -8.665165634232277e-16 ], [ 4.769709999999999, 6.359610000000002, 3.1798099999999994 ] ]
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}]
[ "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb" ]
2024-11-01 00:00:00
[ 0.1, 0.6, 0.15, 0.15 ]
[ [ 34.82509143, 0, 0 ], [ 0, 34.82509143, 0 ], [ 0, 0, 34.82509143 ] ]
-737.191
[ 0.003, 0.002, 0.002, 0.002, 0.002, 0.002, 0.002, 0.003, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.010285, 0.01323, -0.025483 ], [ 0.01323, 0.010285, 0.025483 ], [ 0.010285, -0.01323, -0.025483 ], [ -0.01323, 0.010285, 0.025483 ], [ -0.010285, 0.025483, 0.01323 ], [ 0.025483, -0.010285, -0.01323 ], [ 0.01323, 0.025483, -0.010285 ], [ 0.025483, 0.01323, 0.010285 ], [ -0.01323, 0.025483, 0.010285 ], [ 0.025483, -0.01323, -0.010285 ], [ 0.010285, 0.025483, 0.01323 ], [ 0.025483, 0.010285, -0.01323 ], [ -0.025483, -0.010285, -0.01323 ], [ -0.010285, -0.025483, 0.01323 ], [ 0.01323, -0.025483, 0.010285 ], [ -0.025483, 0.01323, -0.010285 ], [ -0.01323, -0.025483, -0.010285 ], [ -0.025483, -0.01323, 0.010285 ], [ 0.010285, -0.025483, 0.01323 ], [ -0.025483, 0.010285, -0.01323 ], [ 0.01323, -0.010285, 0.025483 ], [ -0.010285, 0.01323, -0.025483 ], [ -0.01323, -0.010285, 0.025483 ], [ -0.010285, -0.01323, -0.025483 ], [ 0.010285, 0.01323, 0.025483 ], [ 0.01323, 0.010285, -0.025483 ], [ 0.010285, -0.01323, 0.025483 ], [ -0.01323, 0.010285, -0.025483 ], [ 0.025483, -0.010285, 0.01323 ], [ -0.010285, 0.025483, -0.01323 ], [ 0.025483, 0.01323, -0.010285 ], [ 0.01323, 0.025483, 0.010285 ], [ 0.025483, -0.01323, 0.010285 ], [ -0.01323, 0.025483, -0.010285 ], [ 0.010285, 0.025483, -0.01323 ], [ 0.025483, 0.010285, 0.01323 ], [ -0.025483, -0.010285, 0.01323 ], [ -0.010285, -0.025483, -0.01323 ], [ -0.025483, 0.01323, 0.010285 ], [ 0.01323, -0.025483, -0.010285 ], [ -0.01323, -0.025483, 0.010285 ], [ -0.025483, -0.01323, -0.010285 ], [ -0.025483, 0.010285, 0.01323 ], [ 0.010285, -0.025483, -0.01323 ], [ 0.01323, -0.010285, -0.025483 ], [ -0.010285, 0.01323, 0.025483 ], [ -0.010285, -0.01323, 0.025483 ], [ -0.01323, -0.010285, -0.025483 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.03083
null
pbe
true
b5fd2ae6ec67df83cc3bcd60f828281b_230_Tb12Re12Mo8N48
[ "Mo", "N", "Re", "Tm" ]
80
A12B3C3D2
Mo3N12Re2Tm3
Mo3 N12 Re2 Tm3
4
[ 1, 1, 1 ]
3
[ [ -6.283687573, 6.283687573, 6.283687573 ], [ 6.283687573, -6.283687573, 6.283687573 ], [ 6.283687573, 6.283687573, -6.283687573 ] ]
oqmd-7680428
[ [ -3.1418399999999997, 4.71277, 6.283689999999999 ], [ 1.5709200000000003, 2.285760835312177e-16, 9.425529999999998 ], [ -6.606992966973236e-17, 3.14184, 4.71277 ], [ 6.28369, -3.14184, 4.712769999999999 ], [ 4.71277, -5.138854303943038e-16, 3.1418399999999997 ], [ 3.14184, 1.5709200000000008, 6.283689999999999 ], [ 3.14184, 4.71277, -2.1294858094080486e-16 ], [ 1.570920000000001, 6.283689999999998, 3.14184 ], [ 1.084233627619243e-15, 9.425529999999998, 1.57092 ], [ 6.283689999999999, 3.1418399999999993, 1.57092 ], [ 4.71277, 6.283689999999999, -3.1418399999999997 ], [ 9.425529999999998, 1.5709199999999996, -4.3270208735692497e-16 ], [ 3.82524, -3.5241399999999996, 7.55813 ], [ -0.3822999999999998, 0.6833899999999999, 1.8674 ], [ -2.45845, 3.52414, 7.55813 ], [ 0.3823, 0.6833900000000004, 8.151089999999998 ], [ -1.2744399999999994, 2.45845, 9.807829999999996 ], [ -0.6833899999999997, 1.8674, 5.90139 ], [ 1.8674, -0.3823000000000002, 0.6833899999999998 ], [ 2.7595500000000004, -1.27444, 8.74214 ], [ 1.8674, 0.3823, 5.60029 ], [ 3.52414, -1.27444, 3.82524 ], [ 0.6833900000000002, 1.8673999999999995, -0.38229999999999986 ], [ -1.27444, 3.82524, 3.5241400000000005 ], [ 1.2744399999999998, 2.45845, 3.5241399999999996 ], [ 5.600290000000002, -1.867400000000001, 5.90139 ], [ -3.5241399999999983, 7.558129999999999, 3.82524 ], [ -1.8674000000000008, 5.901390000000001, 5.600290000000001 ], [ 3.5241400000000005, 1.2744399999999994, 2.45845 ], [ 4.41628, 0.3823000000000007, 6.9670799999999975 ], [ 7.558130000000001, -2.45845, 3.524139999999999 ], [ 0.6833900000000004, 4.41628, 5.901389999999998 ], [ 2.4584500000000005, 2.75955, 7.55813 ], [ 5.90139, -0.68339, 1.8673999999999988 ], [ 0.38229999999999975, 5.60029, 1.8674 ], [ 2.4584500000000005, 3.5241399999999996, 1.2744400000000002 ], [ 3.825239999999999, 2.759549999999999, 5.00925 ], [ 5.901390000000001, 0.6833899999999989, 4.4162799999999995 ], [ 0.3823000000000009, 6.9670799999999975, 4.4162799999999995 ], [ 3.82524, 3.5241399999999996, -1.274440000000001 ], [ 5.600290000000001, 1.8673999999999995, 0.38229999999999936 ], [ -1.274439999999999, 8.74214, 2.7595499999999995 ], [ 1.8674, 5.901389999999999, -0.6833899999999996 ], [ 2.7595499999999995, 5.00925, 3.825239999999999 ], [ 8.15109, 0.38229999999999936, 0.6833899999999994 ], [ 9.80783, -1.2744400000000002, 2.458449999999999 ], [ 5.009249999999999, 3.825239999999999, 2.7595500000000004 ], [ 0.6833900000000005, 8.151089999999998, 0.3823 ], [ 7.558129999999999, 2.4584500000000005, 2.7595499999999995 ], [ 5.600289999999999, 4.41628, 6.6659799999999985 ], [ 4.41628, 5.901389999999999, 0.6833899999999999 ], [ 2.75955, 7.558129999999999, 2.45845 ], [ 3.5241399999999996, 7.558130000000001, -2.4584499999999996 ], [ 4.416280000000001, 6.665979999999999, 5.60029 ], [ 7.55813, 3.825239999999999, -3.52414 ], [ 6.967079999999998, 4.4162799999999995, 0.3822999999999998 ], [ 5.901390000000002, 5.60029, -1.867400000000001 ], [ 8.74214, 2.7595499999999986, -1.2744400000000002 ], [ 2.45845, 9.807829999999996, -1.2744399999999991 ], [ 6.665979999999999, 5.600289999999999, 4.41628 ], [ 0, 0, 0 ], [ -3.14184, 3.14184, 3.14184 ], [ 3.14184, -3.14184, 3.14184 ], [ 1.66850658893566e-16, -1.66850658893566e-16, 6.283689999999999 ], [ 3.14184, 3.14184, -3.14184 ], [ 1.66850658893566e-16, 6.283689999999999, -1.66850658893566e-16 ], [ 6.283689999999999, 1.66850658893566e-16, -1.66850658893566e-16 ], [ 3.1418399999999997, 3.14184, 3.14184 ], [ 1.5709200000000003, -4.771241746849287e-16, 3.1418400000000006 ], [ 3.14184, -1.5709199999999994, 6.283689999999998 ], [ -5.10159139519795e-16, 3.1418400000000006, 1.5709200000000003 ], [ 2.827448014850461e-16, 3.1418400000000006, 7.854609999999998 ], [ -1.5709199999999988, 6.283689999999998, 3.1418399999999997 ], [ 3.1418400000000006, 1.5709200000000003, -8.682064120776319e-16 ], [ 3.1418400000000006, 4.71277, 6.28369 ], [ 7.85461, -9.287700912188146e-16, 3.14184 ], [ 6.283689999999999, 3.1418399999999993, -1.57092 ], [ 6.283689999999999, 3.1418399999999993, 4.712770000000001 ], [ 3.141840000000001, 7.854609999999999, -2.421531299663567e-16 ], [ 4.712770000000001, 6.283689999999998, 3.14184 ] ]
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
[ "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm" ]
2024-11-01 00:00:00
[ 0.15, 0.6, 0.1, 0.15 ]
[ [ 40.66602874, 0, 0 ], [ 0, 40.66602874, 0 ], [ 0, 0, 40.66602874 ] ]
-730.339
[ 0, 0.001, 0.001, 0.001, 0.001, 0.001, 0, 0.001, 0.001, 0.001, 0.001, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.002, 0.002, 0.002, 0.002, 0.002, 0.002, 0.002, 0.002, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.000783, -0.020157, -0.012487 ], [ -0.020157, -0.000783, 0.012487 ], [ -0.000783, 0.020157, -0.012487 ], [ 0.020157, -0.000783, 0.012487 ], [ 0.012487, 0.000783, 0.020157 ], [ 0.000783, 0.012487, -0.020157 ], [ 0.012487, -0.020157, -0.000783 ], [ -0.020157, 0.012487, 0.000783 ], [ 0.012487, 0.020157, 0.000783 ], [ 0.020157, 0.012487, -0.000783 ], [ -0.000783, 0.012487, -0.020157 ], [ 0.012487, -0.000783, 0.020157 ], [ -0.012487, 0.000783, 0.020157 ], [ 0.000783, -0.012487, -0.020157 ], [ -0.020157, -0.012487, -0.000783 ], [ -0.012487, -0.020157, 0.000783 ], [ 0.020157, -0.012487, 0.000783 ], [ -0.012487, 0.020157, -0.000783 ], [ -0.012487, -0.000783, 0.020157 ], [ -0.000783, -0.012487, -0.020157 ], [ 0.000783, -0.020157, -0.012487 ], [ -0.020157, 0.000783, 0.012487 ], [ 0.020157, 0.000783, 0.012487 ], [ 0.000783, 0.020157, -0.012487 ], [ -0.000783, -0.020157, 0.012487 ], [ -0.020157, -0.000783, -0.012487 ], [ 0.020157, -0.000783, -0.012487 ], [ -0.000783, 0.020157, 0.012487 ], [ 0.000783, 0.012487, 0.020157 ], [ 0.012487, 0.000783, -0.020157 ], [ 0.012487, -0.020157, 0.000783 ], [ -0.020157, 0.012487, -0.000783 ], [ 0.012487, 0.020157, -0.000783 ], [ 0.020157, 0.012487, 0.000783 ], [ 0.012487, -0.000783, -0.020157 ], [ -0.000783, 0.012487, 0.020157 ], [ -0.012487, 0.000783, -0.020157 ], [ 0.000783, -0.012487, 0.020157 ], [ -0.012487, -0.020157, -0.000783 ], [ -0.020157, -0.012487, 0.000783 ], [ 0.020157, -0.012487, -0.000783 ], [ -0.012487, 0.020157, 0.000783 ], [ -0.012487, -0.000783, -0.020157 ], [ -0.000783, -0.012487, 0.020157 ], [ -0.020157, 0.000783, -0.012487 ], [ 0.000783, -0.020157, 0.012487 ], [ 0.000783, 0.020157, 0.012487 ], [ 0.020157, 0.000783, -0.012487 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.014196
null
pbe
true
e01634af71e9b61d8371b5239d6f0430_230_Tm12Re8Mo12N48
[ "Mo", "N", "Re", "Y" ]
80
A12B3C3D2
Mo3N12Re2Y3
Mo3 N12 Re2 Y3
4
[ 1, 1, 1 ]
3
[ [ -6.34113946, 6.34113946, 6.34113946 ], [ 6.34113946, -6.34113946, 6.34113946 ], [ 6.34113946, 6.34113946, -6.34113946 ] ]
oqmd-5319051
[ [ -3.1705699999999974, 4.755849999999998, 6.341139999999996 ], [ 1.5852800000000002, 2.6132624152500464e-16, 9.511709999999995 ], [ 3.718610519958095e-16, 3.1705699999999983, 4.755849999999999 ], [ 6.341139999999997, -3.1705699999999983, 4.755849999999999 ], [ 4.755849999999999, 4.571853177495359e-16, 3.170569999999999 ], [ 3.1705699999999992, 1.5852799999999998, 6.341139999999998 ], [ 3.1705699999999983, 4.755849999999999, 4.111360014973364e-16 ], [ 1.58528, 6.341139999999997, 3.170569999999999 ], [ 1.1155831559874285e-15, 9.511709999999995, 1.5852799999999998 ], [ 6.341139999999997, 3.1705699999999992, 1.5852799999999998 ], [ 4.755849999999999, 6.341139999999997, -3.170569999999998 ], [ 9.511709999999995, 1.58528, 4.833641593515895e-16 ], [ -0.4011499999999966, 0.6575799999999966, 1.8740000000000008 ], [ 3.828149999999995, -3.5717199999999956, 7.637710000000001 ], [ -2.5129900000000016, 3.5717200000000013, 7.63771 ], [ 0.4011499999999967, 0.6575800000000032, 8.215140000000003 ], [ -0.6575799999999984, 1.8739999999999983, 5.9399900000000025 ], [ -1.2965700000000004, 2.5129900000000003, 9.91286 ], [ 1.8740000000000008, -0.40114999999999673, 0.6575799999999966 ], [ 2.7694200000000047, -1.2965700000000009, 8.854129999999996 ], [ 3.571720000000005, -1.296570000000001, 3.828149999999999 ], [ 1.8739999999999977, 0.4011500000000063, 5.683559999999997 ], [ 0.6575799999999967, 1.8740000000000008, -0.40114999999999673 ], [ -1.296570000000001, 3.8281499999999986, 3.571720000000005 ], [ 1.2965700000000009, 2.512989999999999, 3.5717200000000053 ], [ 5.683559999999997, -1.873999999999998, 5.939990000000003 ], [ -3.571719999999996, 7.637710000000002, 3.828149999999996 ], [ -1.873999999999998, 5.939990000000004, 5.683559999999997 ], [ 3.571720000000005, 1.2965700000000009, 2.512989999999998 ], [ 4.46714, 0.4011500000000064, 6.998719999999997 ], [ 0.6575799999999992, 4.4671400000000006, 5.939990000000003 ], [ 7.637710000000001, -2.512990000000001, 3.571720000000001 ], [ 5.9399900000000025, -0.6575799999999987, 1.873999999999999 ], [ 2.5129899999999976, 2.7694200000000055, 7.637709999999998 ], [ 0.40115000000000595, 5.683559999999997, 1.8739999999999977 ], [ 2.5129899999999985, 3.5717200000000053, 1.2965700000000016 ], [ 3.828150000000005, 2.769419999999998, 5.044570000000003 ], [ 5.939990000000003, 0.6575799999999999, 4.4671400000000006 ], [ 3.8281499999999986, 3.571720000000005, -1.296570000000001 ], [ 0.40115000000000617, 6.998719999999998, 4.4671400000000006 ], [ -1.2965700000000009, 8.854129999999996, 2.7694200000000055 ], [ 5.683559999999997, 1.8739999999999977, 0.4011500000000058 ], [ 1.873999999999999, 5.939990000000002, -0.6575799999999986 ], [ 2.7694199999999984, 5.044570000000002, 3.828150000000005 ], [ 8.215140000000003, 0.4011499999999962, 0.6575800000000035 ], [ 9.91286, -1.2965699999999998, 2.51299 ], [ 0.6575800000000037, 8.215140000000003, 0.40114999999999645 ], [ 5.044570000000002, 3.828150000000005, 2.769419999999998 ], [ 7.637709999999998, 2.512989999999998, 2.769420000000005 ], [ 5.683559999999996, 4.46714, 6.742290000000003 ], [ 4.46714, 5.939990000000003, 0.6575799999999998 ], [ 2.7694200000000055, 7.637709999999998, 2.512989999999998 ], [ 3.571720000000001, 7.637710000000001, -2.512990000000001 ], [ 4.467139999999999, 6.742290000000003, 5.683559999999997 ], [ 7.637710000000001, 3.828149999999995, -3.5717199999999956 ], [ 6.998719999999997, 4.46714, 0.4011500000000069 ], [ 5.939990000000003, 5.683559999999997, -1.873999999999998 ], [ 8.854129999999996, 2.7694200000000047, -1.2965700000000004 ], [ 2.5129900000000007, 9.91286, -1.2965700000000009 ], [ 6.742290000000004, 5.683559999999996, 4.467139999999999 ], [ 0, 0, 0 ], [ -3.170569999999999, 3.170569999999999, 3.170569999999999 ], [ 3.170569999999999, -3.170569999999999, 3.170569999999999 ], [ -1.444563157085062e-16, 1.444563157085062e-16, 6.341139999999998 ], [ 3.170569999999999, 3.170569999999999, -3.170569999999999 ], [ -1.444563157085062e-16, 6.341139999999998, 1.444563157085062e-16 ], [ 6.341139999999998, -1.444563157085062e-16, 1.444563157085062e-16 ], [ 3.1705699999999983, 3.170569999999999, 3.170569999999999 ], [ 1.5852800000000002, 2.6132624152500464e-16, 3.1705699999999983 ], [ 3.170569999999999, -1.585280000000001, 6.341139999999997 ], [ 1.498164470707782e-16, 3.1705699999999983, 1.5852800000000005 ], [ 3.718610519958095e-16, 3.1705699999999983, 7.926419999999997 ], [ -1.585280000000001, 6.341139999999997, 3.170569999999999 ], [ 3.1705699999999983, 1.5852800000000005, -1.3096107899473262e-17 ], [ 3.1705699999999992, 4.755849999999998, 6.341139999999998 ], [ 7.926419999999997, 3.2953208352726184e-17, 3.170569999999999 ], [ 6.341139999999998, 3.170569999999999, -1.585280000000001 ], [ 6.341139999999998, 3.170569999999999, 4.755849999999998 ], [ 3.170569999999999, 7.926419999999997, -4.048142603485357e-16 ], [ 4.755849999999998, 6.341139999999997, 3.1705699999999992 ] ]
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Y", "Y", "Y", "Y", "Y", "Y", "Y", "Y", "Y", "Y", "Y", "Y" ]
2024-11-01 00:00:00
[ 0.15, 0.6, 0.1, 0.15 ]
[ [ 34.6420138, 0, 0 ], [ 0, 34.6420138, 0 ], [ 0, 0, 34.6420138 ] ]
-753.947
[ 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.004, 0.004, 0.004, 0.005, 0.005, 0.004, 0.004, 0.004, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.006097, -0.022818, 0.030258 ], [ -0.022818, 0.006097, -0.030258 ], [ -0.022818, -0.006097, -0.030258 ], [ -0.006097, -0.022818, 0.030258 ], [ 0.022818, 0.030258, 0.006097 ], [ 0.030258, 0.022818, -0.006097 ], [ 0.030258, 0.006097, -0.022818 ], [ 0.006097, 0.030258, 0.022818 ], [ -0.006097, 0.030258, -0.022818 ], [ 0.030258, -0.006097, 0.022818 ], [ -0.022818, 0.030258, 0.006097 ], [ 0.030258, -0.022818, -0.006097 ], [ -0.030258, 0.022818, -0.006097 ], [ 0.022818, -0.030258, 0.006097 ], [ 0.006097, -0.030258, -0.022818 ], [ -0.030258, 0.006097, 0.022818 ], [ -0.006097, -0.030258, 0.022818 ], [ -0.030258, -0.006097, -0.022818 ], [ -0.022818, -0.030258, 0.006097 ], [ -0.030258, -0.022818, -0.006097 ], [ 0.006097, 0.022818, 0.030258 ], [ 0.022818, 0.006097, -0.030258 ], [ -0.006097, 0.022818, 0.030258 ], [ 0.022818, -0.006097, -0.030258 ], [ -0.022818, 0.006097, 0.030258 ], [ 0.006097, -0.022818, -0.030258 ], [ -0.022818, -0.006097, 0.030258 ], [ -0.006097, -0.022818, -0.030258 ], [ 0.030258, 0.022818, 0.006097 ], [ 0.022818, 0.030258, -0.006097 ], [ 0.030258, 0.006097, 0.022818 ], [ 0.006097, 0.030258, -0.022818 ], [ 0.030258, -0.006097, -0.022818 ], [ -0.006097, 0.030258, 0.022818 ], [ -0.022818, 0.030258, -0.006097 ], [ 0.030258, -0.022818, 0.006097 ], [ -0.030258, 0.022818, 0.006097 ], [ 0.022818, -0.030258, -0.006097 ], [ -0.030258, 0.006097, -0.022818 ], [ 0.006097, -0.030258, 0.022818 ], [ -0.006097, -0.030258, -0.022818 ], [ -0.030258, -0.006097, 0.022818 ], [ -0.030258, -0.022818, 0.006097 ], [ -0.022818, -0.030258, -0.006097 ], [ 0.006097, 0.022818, -0.030258 ], [ 0.022818, 0.006097, 0.030258 ], [ 0.022818, -0.006097, 0.030258 ], [ -0.006097, 0.022818, -0.030258 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.054384
null
pbe
true
af69dc5ea5f39a87e3ef2d9d76670ba6_230_Y12Re8Mo12N48
[ "Mo", "N", "Sn", "Ta" ]
24
A4B3C3D2
Mo2N3Sn3Ta4
Mo2 N3 Sn3 Ta4
4
[ 1, 1, 1 ]
3
[ [ 4.92441207, -2.787130792, 0 ], [ 4.92441207, 2.787130792, 0 ], [ -3.267183188, 0, 13.513353733 ] ]
oqmd-9097686
[ [ 4.2382, -0.4217299999999998, 1.12422 ], [ 3.97703, -0.42172999999999994, 5.63246 ], [ 2.6046100000000005, 0.42172999999999994, 7.880899999999999 ], [ 2.34344, 0.42173, 12.389129999999998 ], [ 2.4622120847639466, -1.3935688200602006, 0 ], [ 4.06623, 1.4584299999999997, 0.01563 ], [ 4.148999999999999, 1.4584299999999997, 6.7410499999999995 ], [ 0.8286159089638822, 1.393566655630164, 6.75668 ], [ 2.432640000000001, -1.45843, 6.77231 ], [ 2.5154099999999997, -1.45843, 13.49773 ], [ 2.4864299999999995, 0.4468599999999998, 3.34996 ], [ 4.10762, -2.3076500000000006, 3.37834 ], [ 5.7288, 0.44686000000000026, 3.40672 ], [ 0.8528400000000003, -0.4468599999999998, 10.10664 ], [ 2.474019999999999, 2.30765, 10.13502 ], [ 4.095210000000001, -0.4468600000000004, 10.16339 ], [ 0.82412, -0.56681, 1.07694 ], [ 7.301590000000001, -0.41229000000000016, 1.08251 ], [ 0.91365, -0.4122900000000001, 5.67417 ], [ 7.391119999999999, -0.56681, 5.679739999999999 ], [ -0.8094800000000001, 0.5668100000000001, 7.83361 ], [ 5.668000000000001, 0.4122900000000003, 7.839189999999999 ], [ -0.7199499999999996, 0.41229000000000016, 12.430849999999998 ], [ 5.757529999999999, 0.5668100000000003, 12.43642 ] ]
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}]
[ "Mo", "Mo", "Mo", "Mo", "N", "N", "N", "N", "N", "N", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Ta", "Ta", "Ta", "Ta", "Ta", "Ta", "Ta", "Ta" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.25, 0.25, 0.3333333333333333 ]
[ [ 10.860549, 0, 0.33186344 ], [ 0, 10.03392447, 0 ], [ 0.33186344, 0, 10.88575207 ] ]
-218.743
[ 0, 0.001, 0.001, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.049941, -0.042073, -0.01405 ], [ -0.049941, -0.042073, 0.01405 ], [ 0.049941, 0.042073, -0.01405 ], [ -0.049941, 0.042073, 0.01405 ], [ 0, 0, 0 ], [ -0.003656, -0.007076, 0.012166 ], [ 0.003656, -0.007076, -0.012166 ], [ 0, 0, 0 ], [ -0.003656, 0.007076, 0.012166 ], [ 0.003656, 0.007076, -0.012166 ], [ 0.00217, -0.00407, -0.002662 ], [ 0, 0.002894, 0 ], [ -0.00217, -0.00407, 0.002662 ], [ 0.00217, 0.00407, -0.002662 ], [ 0, -0.002894, 0 ], [ -0.00217, 0.00407, 0.002662 ], [ 0.00165, -0.009442, -0.01646 ], [ -0.0075, 0.009849, 0.004713 ], [ 0.0075, 0.009849, -0.004713 ], [ -0.00165, -0.009442, 0.01646 ], [ 0.00165, 0.009442, -0.01646 ], [ -0.0075, -0.009849, 0.004713 ], [ 0.0075, -0.009849, -0.004713 ], [ -0.00165, 0.009442, 0.01646 ] ]
0.007595
null
pbe
true
5b0c731668ebcfee75770025911a7b37_15_Ta8Sn6Mo4N6
[ "Mo", "Na", "O", "P" ]
40
A13B3C3D
Mo3NaO13P3
Mo6 Na2 O26 P6
4
[ 1, 1, 1 ]
3
[ [ 6.68194426, 0, 0 ], [ 0, 7.52026543, -1.29107963 ], [ 0, 0.1373597, 10.90683632 ] ]
mp-1012678
[ [ 5.0114581949999994, 4.947965839155299, 1.2290571007189253 ], [ 1.670486065, 2.7096592908447006, 8.386699589281076 ], [ 1.670486065, 2.689745266945671, 1.7902024796247198 ], [ 5.0114581949999994, 4.967879863054328, 7.82555421037528 ], [ 1.670486065, 5.8257682276603955, 3.8984880034359546 ], [ 3.34097213, 0, 0 ], [ 5.0114581949999994, 1.8318569023396047, 5.7172686865640445 ], [ 0, 0, 0 ], [ 1.670486065, 1.6928147491513483, 5.03750066379945 ], [ 5.0114581949999994, 5.964810380848652, 4.578256026200551 ], [ 1.670486065, 5.729125064078508, 7.4204983941860165 ], [ 5.0114581949999994, 1.9285000659214921, 2.195258295813984 ], [ 5.0114581949999994, 2.4909101687932282, 9.198060076275787 ], [ 1.670486065, 5.166714961206772, 0.4176966137242131 ], [ 5.0114581949999994, 2.777922995108382, 7.6433141615713724 ], [ 3.7781895837229738, 5.65531281300004, 3.710293642550687 ], [ 1.670486065, 6.219583149652299, 5.981991029621476 ], [ 3.719687223962839, 1.7517932856850955, 9.567260170869497 ], [ 5.0114581949999994, 4.970345756303824, 5.806190254391987 ], [ 5.0114581949999994, 6.674365528905953, 8.70538988629795 ], [ 1.670486065, 2.687279373696177, 3.8095664356080134 ], [ 0.3787150939628388, 5.905831844314905, 0.04849651913050276 ], [ 1.670486065, 0.26071200059065003, 4.455600845407751 ], [ 5.0114581949999994, 7.3969131294093495, 5.160155844592249 ], [ 0.44381700961024834, 4.878636696680249, 7.806224526564021 ], [ 1.670486065, 0.9832596010940472, 0.910366803702048 ], [ 3.784789139610248, 2.7789884333197508, 1.8095321634359791 ], [ 5.0114581949999994, 3.967167608622251, 9.694480619143064 ], [ 5.0114581949999994, 1.4380419803477016, 3.6337656603785233 ], [ 2.962257036037161, 5.905831844314905, 0.04849651913050276 ], [ 6.244726806277026, 5.65531281300004, 3.710293642550687 ], [ 2.9037546762770257, 2.0023123169999604, 5.905463047449313 ], [ 2.897155120389751, 4.878636696680249, 7.806224526564021 ], [ 1.670486065, 4.879702134891618, 1.9724425284286267 ], [ 5.0114581949999994, 0.6334674102853042, 1.2560436564028683 ], [ 1.670486065, 7.0241577197146965, 8.359713033597131 ], [ 6.238127250389752, 2.7789884333197508, 1.8095321634359791 ], [ 6.303229166037161, 1.7517932856850955, 9.567260170869497 ], [ 0.43721745372297416, 2.0023123169999604, 5.905463047449313 ], [ 1.670486065, 3.690457521377749, -0.07872392914306495 ] ]
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Na", "Na", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2016-10-15 04:22:51
[ 0.15, 0.05, 0.65, 0.15 ]
[]
-288.438572
[ 0.001, 0.001, 1.973, 1.973, 2.745, 2.765, 2.745, 2.765, 0.014, 0.014, 0.012, 0.012, 0.014, 0.014, 0.005, 0.015, 0.026, 0.012, 0.011, -0.064, 0.011, 0.012, 0.015, 0.015, 0.02, -0.064, 0.02, 0.007, 0.026, 0.012, 0.015, 0.015, 0.02, 0.005, 0.009, 0.009, 0.02, 0.012, 0.015, 0.007 ]
[]
15.254
2.430167
pbe
true
503bb81c4402b27e8b2d805b755efdd2_11_Na2Mo6P6O26
[ "Mo", "Na", "O", "P" ]
56
A9B2C2D
Mo2NaO9P2
Mo8 Na4 O36 P8
4
[ 1, 1, 1 ]
3
[ [ 6.70454245, 0, 0 ], [ 0, 7.93331911, 0 ], [ 0, 0, 14.60701782 ] ]
mp-1013843
[ [ 5.0284068375, 6.930129012579756, 11.325407971892185 ], [ 5.0284068375, 4.969849652420244, 4.021899061892185 ], [ 1.6761423170424499, 2.963461524260646, 10.585118758107814 ], [ 1.6761423170424499, 1.0031900974202437, 3.2816098481078138 ], [ 5.0284068375, 2.809055255089526, 12.881885778685252 ], [ 1.6761423170424499, 5.124263854910475, 1.7251320413147473 ], [ 1.6761423170424499, 6.775714810089525, 9.028640951314747 ], [ 5.0284068375, 1.1576042999104748, 5.578376868685253 ], [ 3.352271225, 0, 0 ], [ 3.352271225, 3.966659555, 7.30350891 ], [ 0, 3.966659555, 7.30350891 ], [ 0, 0, 0 ], [ 1.6761423170424499, 2.7710057873069074, 13.689064763102571 ], [ 5.0284068375, 5.162313322693092, 0.9179676639152478 ], [ 5.0284068375, 6.737665342306908, 8.221461966897428 ], [ 1.6761423170424499, 1.1956617010122024, 6.385555853102572 ], [ 5.0284068375, 3.1438230748975724, 10.139504656525748 ], [ 5.0284068375, 0.8228364801024277, 2.8359957465257475 ], [ 1.6761423170424499, 7.1104826298975725, 11.771022073474251 ], [ 1.6761423170424499, 4.789488101783318, 4.467513163474253 ], [ 0.39309624088495854, 4.70992714509167, 5.327666689068475 ], [ 3.745360761342508, 3.223384031589221, 9.279351130931524 ], [ 6.311446209115042, 0.7432675900916696, 1.9758422209315247 ], [ 2.9591749841150414, 7.19005151990833, 12.631175599068476 ], [ 6.311446209115042, 3.223384031589221, 9.279351130931524 ], [ 2.9591749841150414, 4.70992714509167, 5.327666689068475 ], [ 0.39309624088495854, 7.19005151990833, 12.631175599068476 ], [ 3.745360761342508, 0.7432675900916696, 1.9758422209315247 ], [ 1.6761423170424499, 2.6025917359164508, 7.109287866117795 ], [ 5.0284068375, 5.3307353074026596, 7.497729953882204 ], [ 5.0284068375, 6.569243357597341, 0.1942064368643844 ], [ 1.6761423170424499, 1.3640757524026594, 14.412796776117796 ], [ 5.0284068375, 1.127521312511737, 13.86679740526956 ], [ 1.6761423170424499, 6.805797797488263, 0.7402058077126193 ], [ 1.6761423170424499, 5.094180867511737, 8.04371471771262 ], [ 5.0284068375, 2.839146175807373, 6.563303102287381 ], [ 5.0284068375, 1.8341442669687877, 11.006499963196678 ], [ 1.6761423170424499, 6.0991748430312125, 3.6005324638211404 ], [ 1.6761423170424499, 5.800803821968787, 10.904026766803321 ], [ 5.0284068375, 2.1325232213503225, 3.7029764461788592 ], [ 2.907067079057368, 1.1029934731533944, 5.47844076521705 ], [ 6.259338304057367, 6.830325636846605, 9.12857705478295 ], [ 3.797475370942632, 5.069645094834285, 1.82506814478295 ], [ 0.44520414594263197, 2.8636660818466058, 12.78194967521705 ], [ 3.797475370942632, 6.830325636846605, 9.12857705478295 ], [ 0.44520414594263197, 1.1029934731533944, 5.47844076521705 ], [ 2.907067079057368, 2.8636660818466058, 12.78194967521705 ], [ 6.259338304057367, 5.069645094834285, 1.82506814478295 ], [ 5.0284068375, 4.114516313913478, 14.409190887698749 ], [ 1.6761423170424499, 0.26773531932129313, 10.638092861074183 ], [ 1.6761423170424499, 3.698916302359597, 3.334583951074183 ], [ 5.0284068375, 4.234394874321293, 11.272433868925816 ], [ 5.0284068375, 7.7854623510865215, 7.10568197769875 ], [ 1.6761423170424499, 0.1478567589134784, 7.50133584230125 ], [ 1.6761423170424499, 3.8187948627674118, 0.1978123252834296 ], [ 5.0284068375, 7.665583790678707, 3.9689249589258173 ] ]
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Na", "Na", "Na", "Na", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2016-10-27 04:31:15
[ 0.14285714285714285, 0.07142857142857142, 0.6428571428571429, 0.14285714285714285 ]
[]
-400.420238
[ 0.001, 0.001, 0.001, 0.001, 1.969, 1.969, 1.969, 1.969, 2.76, 2.76, 2.76, 2.76, 0.011, 0.011, 0.011, 0.011, 0.008, 0.008, 0.008, 0.008, 0.012, 0.012, 0.012, 0.012, 0.012, 0.012, 0.012, 0.012, 0.007, 0.007, 0.007, 0.007, -0.055, -0.055, -0.055, -0.055, 0.009, 0.009, 0.009, 0.009, 0.015, 0.015, 0.015, 0.015, 0.015, 0.015, 0.015, 0.015, 0.009, 0.011, 0.011, 0.011, 0.009, 0.009, 0.009, 0.011 ]
[]
19.136
2.192033
pbe
true
ba272236af6f54486d17f4e3c92cbaa5_62_Na4Mo8P8O36
[ "Mo", "Na", "O", "Sb" ]
32
A5BCD
MoNaO5Sb
Mo4 Na4 O20 Sb4
4
[ 1, 1, 1 ]
3
[ [ 5.73580476, 0.02109211, 0 ], [ -1.94224208, 8.47788616, 0 ], [ 0, 0, 11.20099791 ] ]
mp-557087
[ [ 1.9227870372426772, 4.967733209213327, 7.169247772666346 ], [ -0.9451153427573227, 4.957187154213327, 9.632249092333653 ], [ 4.738678022757322, 3.5417911157866735, 1.5687488176663458 ], [ 1.870775642757323, 3.531245060786673, 4.031750137333654 ], [ 2.8571055039717845, 8.069831289346203, 9.362611277985513 ], [ 0.9364571760282152, 0.429146980653797, 1.8383866320144864 ], [ 3.804359556028215, 0.439693035653797, 3.7621123229855136 ], [ -0.010796876028215026, 8.059285234346204, 7.438885587014487 ], [ 4.826758824399921, 2.5358241709665466, 6.629451633597187 ], [ 1.9588564443999208, 2.5252781159665467, 10.172045231402814 ], [ -1.033196144399921, 5.963154099033454, 4.571546276402813 ], [ 1.834706235600079, 5.973700154033454, 1.0289526785971868 ], [ 0.9542745325510767, 2.131040373392932, 0.4703335985702103 ], [ 2.6877271220773804, 4.791803125362957, 2.0313619044071305 ], [ 3.8221769125510763, 2.1415864283929325, 5.1301653564297895 ], [ 0.2658087673106167, 5.332601415584506, 0.521109738275864 ], [ 2.2171113276114287, 0.9623300753055284, 9.264244002329914 ], [ 5.085013707611428, 0.9728761303055283, 7.537252862670085 ], [ 0.659851532689383, 3.155830799415494, 6.1216086932758635 ], [ 3.1337111473106165, 5.343147470584506, 5.079389216724136 ], [ 2.262720876583677, 1.4207786701303013, 2.9459784926683477 ], [ -0.028614232551076715, 6.357391841607067, 6.0708325535702095 ], [ 3.9737379379226194, 3.717721199637044, 7.631860859407131 ], [ -1.3370605765836772, 7.0676535448696995, 8.546477447668348 ], [ -0.18017525792261932, 4.781257070362957, 3.56913705059287 ], [ -1.2914510276114284, 7.526102139694472, 3.6637450473299142 ], [ 1.5308418034163223, 7.078199599869699, 8.255019417331653 ], [ 3.5277539126893838, 3.1663768544154944, 10.679888171724135 ], [ 1.5764513523885713, 7.536648194694473, 1.9367539076700855 ], [ 2.839288147448923, 6.367937896607068, 10.73066431142979 ], [ 5.130623256583677, 1.4313247251303014, 2.6545204623316523 ], [ 1.105835557922619, 3.707175144637044, 9.169636005592869 ] ]
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
[ "Na", "Na", "Na", "Na", "Sb", "Sb", "Sb", "Sb", "Mo", "Mo", "Mo", "Mo", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2013-06-23 09:45:25
[ 0.125, 0.125, 0.625, 0.125 ]
[]
-201.955605
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
0.919335
pbe
true
51cf81f32628cfa84d4fd1a8ee9ae1ce_14_Na4Sb4Mo4O20
[ "Bi", "Ge", "Se" ]
4
A2BC
BiGe2Se
Ge2 Bi1 Se1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.59729888, 3.59729888 ], [ 3.59729888, 0, 3.59729888 ], [ 3.59729888, 3.59729888, 0 ] ]
agm002678661
[ [ 1.79864944, 1.79864944, 1.79864944 ], [ 5.39594832, 5.39594832, 5.39594832 ], [ 3.59729888, 3.59729888, 3.59729888 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}]
[ "Ge", "Ge", "Bi", "Se" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 0.7228997, 0, 0 ], [ 0, 0.7228997, 0 ], [ 0, 0, 0.7228997 ] ]
-15.475093
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
3.027487
pbe
true
ec1618f6b375b9e2f5321f35f4a30a86_225_Ge2Bi1Se1
[ "Mo", "Na", "O", "Si" ]
20
A6B2CD
MoNaO6Si2
Na2 Si4 Mo2 O12
4
[ 1, 1, 1 ]
3
[ [ 4.98334506, -0.33349647, -0.34609405 ], [ 1.16639085, 6.7471501, 0.12284822 ], [ 1.16639085, -0.12729427, 6.74706768 ] ]
agm004975053
[ [ 2.4122271150000003, 6.06733729617004, 0.6110534477492657 ], [ 4.903899645, 0.21902206382996006, 5.912768402250734 ], [ 2.701807914600856, 5.216518274824419, 4.160982632034092 ], [ 2.122646315399144, 2.488314480187118, 1.329722992928576 ], [ 4.6143188453991435, 1.0698410851755809, 2.3628392179659077 ], [ 5.193480444600857, 3.798044879812882, 5.194098857071424 ], [ 2.4122271150000003, 1.7156864202725326, 4.804307311442443 ], [ 4.903899645, 4.570672939727467, 1.7195145385575565 ], [ 2.8507491460132295, 6.460040800420314, 5.179262220439308 ], [ 1.973705083986771, 1.5168210052231557, 0.0493160188185318 ], [ 4.465377613986772, -0.1736814404203138, 1.3445596295606912 ], [ 5.34242167601323, 4.769538354776844, 6.474505831181468 ], [ 3.254480731114423, 5.467046680255055, 2.6896250915868127 ], [ 1.569973498885577, 3.9679460963091944, 1.1338971121674446 ], [ 4.061646028885577, 0.819312679744945, 3.8341967584131873 ], [ 5.746153261114424, 2.3184132636908052, 5.389924737832555 ], [ 6.0236674151505065, 4.42513152202639, 3.8125544115120573 ], [ 3.7841318748494936, 2.4736770427466697, 1.7873852090819058 ], [ 1.2924593448494937, 1.861227837973611, 2.711267438487942 ], [ 3.5319948851505067, 3.8126823172533295, 4.736436640918094 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Na", "Na", "Si", "Si", "Si", "Si", "Mo", "Mo", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.1, 0.6, 0.2 ]
[ [ 0.51734906, 0.07651622, 0.07940656 ], [ 0.07651618, 0.6475316, -0.01748261 ], [ 0.07940653, -0.01748261, 0.64623487 ] ]
-144.118637
[ 0, 0, 0.008, 0.008, 0.008, 0.008, 2.751, 2.751, 0.009, 0.009, 0.009, 0.009, 0.026, 0.026, 0.026, 0.026, -0.001, -0.001, -0.001, -0.001 ]
[ [ 0, -0.00057807, 0.00055702 ], [ 0, 0.00057807, -0.00055702 ], [ 0.00399029, -0.0014383, -0.00247925 ], [ -0.00399029, 0.00242424, 0.00152919 ], [ -0.00399029, 0.0014383, 0.00247925 ], [ 0.00399029, -0.00242424, -0.00152919 ], [ 0, 0.0001505, -0.00014502 ], [ 0, -0.0001505, 0.00014502 ], [ 0.00070195, 0.00378956, -0.00000979 ], [ -0.00070195, 0.00015023, -0.00378659 ], [ -0.00070195, -0.00378956, 0.00000979 ], [ 0.00070195, -0.00015023, 0.00378659 ], [ 0.00203676, -0.00405587, -0.00099301 ], [ -0.00203676, 0.00084201, 0.00408989 ], [ -0.00203676, 0.00405587, 0.00099301 ], [ 0.00203676, -0.00084201, -0.00408989 ], [ -0.00017662, 0.00008544, -0.00347853 ], [ 0.00017662, 0.0034793, 0.00004354 ], [ 0.00017662, -0.00008544, 0.00347853 ], [ -0.00017662, -0.0034793, -0.00004354 ] ]
6
0
pbe
true
f828478009f01d1cb1f9b1061fd5f885_15_Na2Si4Mo2O12
[ "Mo", "Na", "O", "Tm" ]
20
A6B2CD
MoNa2O6Tm
Na4 Tm2 Mo2 O12
4
[ 1, 1, 1 ]
3
[ [ 5.66801462, 0.00001258, -0.021787 ], [ 0.00001338, 5.78337232, 0.00011837 ], [ 0.01801556, 0.00016593, 8.09354847 ] ]
agm004951625
[ [ 0.044293955281429, 5.613424919071528, 2.0353046794926875 ], [ 2.887321075172348, 3.061841194941684, 6.070608410474226 ], [ 5.64174960471857, 0.1701259109284716, 6.036575160507312 ], [ 2.798722484827653, 2.721709635058316, 2.0012714295257736 ], [ 2.83400731, 0.00000629, -0.0108935 ], [ 0.00901447, 2.8917691249999997, 4.04683342 ], [ 2.84301509, 0.000089255, 4.035880735 ], [ 0.00000669, 2.89168616, 0.000059185 ], [ 1.5444893943741376, 4.0201037849236805, 0.3021122976798007 ], [ 4.387455444716652, 4.6550952950000175, 4.337926904106527 ], [ 4.1415541656258625, 1.76344704507632, 7.769767542320199 ], [ 1.298588115283347, 1.128455534999983, 3.733952935893472 ], [ 1.7522538835145176, 4.2124984868311275, 3.690528700204492 ], [ 4.595228366225573, 4.462895910872288, 7.7263218828552755 ], [ 3.9337896764854823, 1.571052343168872, 4.381351139795508 ], [ 1.0908151937744273, 1.3206549191277113, 0.3455579571447245 ], [ 5.227736525517379, 3.0179784806003043, 1.8635394502067055 ], [ 2.4028949914733526, 5.657245641517094, 5.921229458031633 ], [ 0.4583070344826214, 2.765572349399696, 6.208340389793294 ], [ 3.2831485685266477, 0.12630518848290487, 2.150650381968367 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
[ "Na", "Na", "Na", "Na", "Tm", "Tm", "Mo", "Mo", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.2, 0.6, 0.1 ]
[ [ 0.7759082, -0.00300259, 0.02143859 ], [ -0.00300267, 0.8572927, -0.01551578 ], [ 0.02143853, -0.01551591, 0.83846104 ] ]
-128.670395
[ -0.001, -0.001, -0.001, -0.001, -0.021, -0.021, -0.136, -0.136, 0.159, 0.159, 0.159, 0.159, 0.175, 0.175, 0.175, 0.175, 0.168, 0.168, 0.168, 0.168 ]
[ [ -0.00278027, 0.00156799, 0.00111762 ], [ -0.00267576, -0.00138631, -0.00011341 ], [ 0.00278027, -0.00156799, -0.00111762 ], [ 0.00267576, 0.00138631, 0.00011341 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00263357, -0.00450679, -0.00139233 ], [ -0.00042429, 0.00261717, -0.0012539 ], [ 0.00263357, 0.00450679, 0.00139233 ], [ 0.00042429, -0.00261717, 0.0012539 ], [ 0.00076334, 0.00044709, 0.00256203 ], [ 0.00261448, -0.00259306, 0.00251904 ], [ -0.00076334, -0.00044709, -0.00256203 ], [ -0.00261448, 0.00259306, -0.00251904 ], [ 0.00090288, -0.00147539, -0.00224207 ], [ 0.00006178, 0.0011713, -0.00102814 ], [ -0.00090288, 0.00147539, 0.00224207 ], [ -0.00006178, -0.0011713, 0.00102814 ] ]
2.130271
12.104829
pbe
true
0f641524994d3ada9c58af0dde488a26_14_Na4Tm2Mo2O12
[ "Mo", "Na", "O", "U" ]
60
A10B2C2D
Mo2Na2O10U
Mo8 Na8 O40 U4
4
[ 1, 1, 1 ]
3
[ [ 7.3298339, 0, 0 ], [ 0, 11.65246066, 0 ], [ 0, 0, 12.15502684 ] ]
mp-555784
[ [ 4.294890079496316, 5.153249456058096, 2.3286201735191647 ], [ 6.699860770503684, 6.499211203941903, 8.406133593519165 ], [ 0.60119224349461, 6.41707277570035, 5.211134466814047 ], [ 3.034943820503684, 10.979479786058095, 3.7488932464808356 ], [ 6.728641656505389, 0.5908424457003507, 0.8663789531859527 ], [ 3.06372470650539, 5.235387884299649, 11.288647886814047 ], [ 0.629973129496316, 0.6729808739419039, 9.826406666480835 ], [ 4.26610919349461, 11.061618214299648, 6.943892373185953 ], [ 6.018423191333671, 8.836021649685575, 2.8078587261949446 ], [ 2.3535062413336707, 8.642669340314423, 9.347168113805056 ], [ 1.311410708666329, 3.0097913196855757, 3.2696546938050557 ], [ 4.976327658666329, 2.816439010314424, 8.885372146194944 ], [ 2.449943986375903, 8.304916126181746, 1.209060276674263 ], [ 0.58842733775776, 9.686431978555953, 6.238560232613896 ], [ 6.114860936375903, 9.173774863818252, 10.945966563325737 ], [ 1.214972963624097, 3.3475445338182515, 7.286573696674263 ], [ 6.74140656224224, 3.8602016485559543, 11.993980027386105 ], [ 3.0764896122422396, 1.966028681444045, 0.161046812613896 ], [ 4.879889913624097, 2.478685796181748, 4.868453143325737 ], [ 4.253344287757759, 7.792259011444044, 5.916466607386104 ], [ 2.256866925859189, 8.92375011287955, 11.680078890248472 ], [ 2.685818627664615, 3.294612881696382, 1.3772093930210396 ], [ 6.611958983529697, 10.677858988038373, 6.869030292180002 ], [ 0.7483583029919619, 5.043620426102864, 7.211020116191386 ], [ 4.413275252991962, 0.7826099038971358, 4.944006723808614 ], [ 6.270857833159297, 10.631770126914482, 2.585856520333011 ], [ 0.041986901142658, 8.234363739574432, 10.03090928020122 ], [ 6.4473768721942495, 2.6572841094390274, 4.00104818432422 ], [ 5.305929912211087, 4.8477694795923885, 0.1804999606691688 ], [ 6.581475597008038, 10.869850756102863, 11.021520143808614 ], [ 1.600442551469604, 1.2071358464004538, 3.0541470403340027 ], [ 3.622930048857342, 3.418096920425567, 3.9533958602012205 ], [ 1.641012962211087, 0.9784608504076111, 11.974526879330831 ], [ 5.729391348530396, 7.033366176400453, 3.023366379665997 ], [ 3.756447444544521, 8.630875651831225, 7.467221340919537 ], [ 1.058976066840703, 4.805539796914482, 3.491656899666989 ], [ 5.265359501469604, 4.619094483599546, 9.100879799665998 ], [ 4.382791866470303, 0.9746016719616258, 0.7915168721800032 ], [ 0.7178749164703029, 4.851628658038374, 11.363509967819997 ], [ 2.7824599221942496, 3.168946220560972, 8.15397865567578 ], [ 2.9165586470080376, 6.608840233897135, 1.133506696191386 ], [ 4.644015272335385, 9.120843211696382, 4.70030402697896 ], [ 2.023903987788913, 10.673999809592388, 5.8970134593308305 ], [ 3.7069038511426573, 9.244327250425567, 2.1241175597987794 ], [ 0.09153049454452099, 8.847815338168774, 4.687805499080461 ], [ 0.979098322335385, 8.357847778303617, 7.454722813021039 ], [ 4.54737397780575, 8.995176550560972, 10.07856160432422 ], [ 2.947042033529697, 6.800832001961625, 5.285996547819997 ], [ 0.88245702780575, 8.483514439439027, 2.0764652356757805 ], [ 5.688820937788913, 6.804691180407612, 6.258013380669169 ], [ 2.605940883159297, 6.846920863085516, 9.56917031966699 ], [ 6.350735577664614, 2.5316174483036176, 10.777817446978961 ], [ 1.408050024140811, 2.728710547120449, 5.6025654702484715 ], [ 7.287846998857342, 2.4081334095744324, 8.201630979798779 ], [ 5.921783875859188, 8.55494087712045, 0.47494794975152804 ], [ 5.072966974140811, 3.0975197828795507, 6.552461369751527 ], [ 4.7238930168407025, 1.0206905330855172, 8.66336994033301 ], [ 7.238303405455479, 3.0215850081687745, 1.389707920919538 ], [ 2.064474398530396, 10.445324813599546, 9.131660460334002 ], [ 3.573386455455479, 2.8046453218312246, 10.765318919080462 ] ]
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]
[ "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "U", "U", "U", "U", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-06-05 20:35:46
[ 0.13333333333333333, 0.13333333333333333, 0.6666666666666666, 0.06666666666666667 ]
[]
-437.425253
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
0.460494
pbe
true
512dbddbb96ce43798b0688f596f8ded_19_Na8U4Mo8O40
[ "Bi", "Ge", "Ta" ]
5
A3BC
BiGeTa3
Ta3 Ge1 Bi1
3
[ 1, 1, 1 ]
3
[ [ 5.14775322, 0, 0 ], [ 0, 5.14775322, 0 ], [ 0, 0, 5.14775322 ] ]
agm002485746
[ [ 2.57387661, 2.57387661, 2.57387661 ], [ 0, 0, 0 ], [ 0, 2.57387661, 0 ], [ 0, 0, 2.57387661 ], [ 2.57387661, 0, 0 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}]
[ "Ge", "Bi", "Ta", "Ta", "Ta" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ 0.79336166, 0, 0 ], [ 0, 0.79336166, 0 ], [ 0, 0, 0.79336166 ] ]
-32.008193
[ 0, 0, -0.001, 0.001, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000045
6.882481
pbe
true
6d428bb5929bfaad09d4de3a544c438f_221_Ta3Ge1Bi1
[ "Mn", "Se", "Tc" ]
4
A2BC
MnSe2Tc
Mn1 Tc1 Se2
3
[ 1, 1, 1 ]
3
[ [ 4.53449197, 0, 0 ], [ 2.26724599, 3.92698524, 0 ], [ 2.26724599, 1.30899508, 3.70239719 ] ]
agm004302595
[ [ 4.534491975, 2.61799016, 1.851198595 ], [ 0, 0, 0 ], [ 6.801737962500001, 3.92698524, 2.7767978925000003 ], [ 2.2672459875, 1.30899508, 0.9255992975 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
[ "Mn", "Se", "Se", "Tc" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 2.4453597, 0, 0 ], [ 0, 2.4453597, 0 ], [ 0, 0, 2.4453597 ] ]
-23.964036
[ 3.411, 0.053, -0.008, 0.197 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.840328
2.602835
pbe
true
15511fdb3f78f67f322063ba79f77f59_216_Mn1Tc1Se2
[ "Mo", "Nb", "Pa", "Si" ]
5
A2BCD
MoNbPaSi2
Pa1 Nb1 Si2 Mo1
4
[ 1, 1, 1 ]
3
[ [ 3.96899507, 0, 0 ], [ 0, 3.96899507, 0 ], [ -1.98449754, -1.98449753, 5.7512222 ] ]
agm005019372
[ [ 0, 0, 0 ], [ -2.4999999848063226e-9, 1.9844975375, 2.8756111 ], [ 1.9844975141352064, 1.9844975161748435, 1.1730406169463619 ], [ 1.586479404365741e-8, 2.3825156895278534e-8, 4.578181583053638 ], [ 1.9844975325, 2.4999999848063226e-9, 2.8756111 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Pa", "Nb", "Si", "Si", "Mo" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 3.7321765, 0, 0 ], [ 0, 3.7321765, 0 ], [ 0, 0, 3.1519988 ] ]
-43.692659
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00529095 ], [ 0, 0, 0.00529095 ], [ 0, 0, 0 ] ]
-0
5.650601
pbe
true
b59452a50bf84c75449f8e24ddb7c323_119_Pa1Nb1Si2Mo1
[ "Mo", "Nb", "Ta", "Ti" ]
10
A2BCD
MoNb2TaTi
Ta2 Ti2 Nb4 Mo2
4
[ 1, 1, 1 ]
3
[ [ 4.59990354, 0, 0 ], [ 0, 7.13349917, 0.23970711 ], [ 0, -1.29003359, 5.25713543 ] ]
agm005009881
[ [ 1.149975885, -0.21729256942539102, 5.0369841691409825 ], [ 3.4499276549999998, 6.060758149425391, 0.4598583708590173 ], [ 1.149975885, 6.229479447893485, 2.172162793880994 ], [ 3.4499276549999998, -0.38601386789348535, 3.324679746119006 ], [ 3.4499276549999998, 4.0554336145282655, 2.5630282622187472 ], [ 1.149975885, 1.7880319654717352, 2.9338142777812526 ], [ 3.4499276549999998, 2.0682373595742587, 4.621793802374118 ], [ 1.149975885, 3.775228220425742, 0.8750487376258816 ], [ 1.149975885, 4.399042640160891, 4.1591261387377765 ], [ 3.4499276549999998, 1.4444229398391084, 1.3377164012622236 ] ]
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}]
[ "Ta", "Ta", "Ti", "Ti", "Nb", "Nb", "Nb", "Nb", "Mo", "Mo" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 8.995306, 0, 0 ], [ 0, 8.685653, -0.10131296 ], [ 0, -0.10131254, 8.790057 ] ]
-102.133642
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00563478, -0.00083863 ], [ 0, -0.00563478, 0.00083863 ], [ 0, 0.00249034, 0.00094428 ], [ 0, -0.00249034, -0.00094428 ], [ 0, 0.00280834, -0.0040437 ], [ 0, -0.00280834, 0.0040437 ], [ 0, 0.00494877, -0.01010265 ], [ 0, -0.00494877, 0.01010265 ], [ 0, 0.00103588, -0.0048033 ], [ 0, -0.00103588, 0.0048033 ] ]
0.000043
11.858092
pbe
true
d7ea5490e138ab3a7b3109cc4fc240f3_11_Ta2Ti2Nb4Mo2
[ "Ce", "Cu", "Pu" ]
12
A8B3C
CeCu8Pu3
Ce1 Pu3 Cu8
3
[ 1, 1, 1 ]
3
[ [ 5.20909858, -1e-8, 0 ], [ -2.6045488, 4.51121065, 0 ], [ 0, 0, 8.57069538 ] ]
agm005984173
[ [ 0, 0, 4.735341337557674 ], [ 2.60454945333366, 1.50373988414043, 3.8257336939991364 ], [ 2.60455205788246, 1.50373537292978, 0.4896357706057428 ], [ 0, 0, 8.091238681469267 ], [ -0.0000022778824600248843, 3.00747526707022, 4.282473507304317 ], [ -0.0000022778824600248843, 3.00747526707022, 8.565735175755778 ], [ 4.886219829605821e-7, 4.498523857527279, 6.452816985269108 ], [ 1.291287807873087, 2.261948713757452, 6.452816985269108 ], [ -1.2912873164950693, 2.261948718715268, 6.452816985269108 ], [ 1.6499462288700534e-7, 1.5190316300879994, 2.1204521745535048 ], [ -1.289028593719073, 3.751694832430572, 2.1204521745535048 ], [ 1.2890294087244505, 3.751694827481428, 2.1204521745535048 ] ]
[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "Ce", "Pu", "Pu", "Pu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu" ]
2023-11-16 06:57:59
[ 0.08333333333333333, 0.6666666666666666, 0.25 ]
[ [ -5.955099, -6.3e-7, 0 ], [ -6.3e-7, -5.9550962, 0 ], [ 0, 0, -5.6080747 ] ]
-82.270575
[ -0.856, -5.29, 5.064, -5.099, -0.026, 0.005, -0.013, -0.013, -0.013, -0.004, -0.004, -0.004 ]
[ [ 0, 0, -0.00170744 ], [ 0, 0, 0.00251945 ], [ 0, 0, 0.00113015 ], [ 0, 0, 0.00319428 ], [ 0, 0, 0.00058344 ], [ 0, 0, 0.00469742 ], [ 0, 0.00465568, -0.01868292 ], [ 0.00403193, -0.00232784, -0.01868292 ], [ -0.00403193, -0.00232784, -0.01868292 ], [ 0, 0.00929751, 0.01521049 ], [ 0.00805188, -0.00464876, 0.01521049 ], [ -0.00805188, -0.00464876, 0.01521049 ] ]
-6.735566
32.803375
pbe
true
f976cba9088975024eff614b8e5d64de_156_Ce1Pu3Cu8
[ "Ce", "Cu", "Tm" ]
10
A3BC
CeCu3Tm
Ce2 Tm2 Cu6
3
[ 1, 1, 1 ]
3
[ [ 3.44520729, 0, -0.4743573 ], [ 0, 4.34745573, 0 ], [ 0.04587744, 0, 13.08147331 ] ]
agm005894433
[ [ 3.2312787654356265, 3.2605917975, 10.720172241364594 ], [ 0.2598059645643735, 1.0868639325, 1.8869437686354058 ], [ 0.7281646944978146, 3.2605917975, 5.2885846371033205 ], [ 2.7629200355021855, 1.0868639325, 7.318531372896678 ], [ 2.146724447196313, 3.2605917975, 2.8431541177214092 ], [ 1.344360282803687, 1.0868639325, 9.76396189227859 ], [ 1.8068712381559247, 3.2605917975, 0.37484813726060207 ], [ 1.6842134918440754, 1.0868639325, 12.232267872739397 ], [ 2.3397068789476685, 1.0868639325, 4.244778248008617 ], [ 1.1513778510523316, 3.2605917975, 8.362337761991382 ] ]
[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
[ "Ce", "Ce", "Tm", "Tm", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.2 ]
[ [ -3.1766455, 0, -0.11232021 ], [ 0, -4.589172, 0 ], [ -0.11232021, 0, -3.9769511 ] ]
-47.253341
[ 0.463, 0.463, 0.008, 0.008, -0.004, -0.004, -0.006, -0.006, -0.001, -0.001 ]
[ [ -0.00009645, 0, -0.00070049 ], [ 0.00009645, 0, 0.00070049 ], [ 0.00003702, 0, 0.00026888 ], [ -0.00003702, 0, -0.00026888 ], [ 0.00231249, 0, 0.0167954 ], [ -0.00231249, 0, -0.0167954 ], [ -0.00194532, 0, -0.01412866 ], [ 0.00194532, 0, 0.01412866 ], [ -0.00004882, 0, -0.00035456 ], [ 0.00004882, 0, 0.00035456 ] ]
1.123518
14.012518
pbe
true
fcd66d6e11adbfba23e27ee3f3e67b56_63_Ce2Tm2Cu6
[ "Mo", "Ni", "Pt", "Rh" ]
16
A4B2CD
MoNi4PtRh2
Ni8 Mo2 Pt2 Rh4
4
[ 1, 1, 1 ]
3
[ [ 6.97920639, -0.0205861, -1.27821801 ], [ -0.02472261, 6.98364572, -1.27381868 ], [ -4.35938197, -4.36178085, 6.20523594 ] ]
agm004868828
[ [ 1.6620810806106776, 5.3149475983753804, -1.2621436126903467 ], [ 2.9659800652769444, -0.3863738743295367, 1.8125518064356114 ], [ -0.37089572884487937, 2.9875951278039006, 1.8406558386349705 ], [ 0.9331266575977123, -2.713677140360182, 4.9153345993216595 ], [ 5.207200846280267, 5.229742824189919, -1.9064408590912572 ], [ 3.0286826262604065, 3.050096933908722, 1.1810313196052897 ], [ -0.43360500671864116, -0.4487731399665567, 2.4721660667419205 ], [ -2.612139366968464, -2.628474362150532, 5.559659353241287 ], [ 1.2975224755137345, 1.3006411369252466, 1.82662041729556 ], [ 2.619801485852941, -4.3823494844751085, 4.927002686264776 ], [ -0.0123663326812581, 3.4918123748390317, -0.6368828681324156 ], [ 4.787158319109957, 1.2903496941031303, 1.1874517829347875 ], [ 3.4896102377567786, -0.0102767372019905, -0.6390973938533387 ], [ 1.3099137105744358, -2.191171397781563, 2.4634942725913858 ], [ -2.179690121754602, -2.1808709180813333, 3.1026146552265748 ], [ -0.8821326983646223, -0.8802773605831723, 4.929219629213523 ] ]
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Mo", "Mo", "Pt", "Pt", "Rh", "Rh", "Rh", "Rh" ]
2023-11-16 06:57:59
[ 0.125, 0.5, 0.125, 0.25 ]
[ [ -6.5113344, -0.59470624, -0.7099655 ], [ -0.5845489, -6.484675, -0.75378305 ], [ -0.71718925, -0.74655265, -7.0782695 ] ]
-102.88286
[ 0.014, 0.014, 0.014, 0.014, 0.032, 0.032, 0.032, 0.032, -0.002, -0.002, 0.01, 0.01, 0.021, 0.021, 0.151, 0.151 ]
[ [ -0.00298892, -0.00088759, -0.00271523 ], [ 0.00087637, 0.00298689, 0.00272604 ], [ -0.0010465, -0.00232861, -0.00248123 ], [ 0.00240087, 0.00112697, 0.00237172 ], [ 0.00080345, 0.00214747, -0.00209918 ], [ 0.00048411, -0.00283973, 0.00167497 ], [ -0.00050682, 0.00263619, -0.00151405 ], [ -0.0006862, -0.00210747, 0.00198728 ], [ -0.00006082, 0.00004374, -0.00001175 ], [ -0.00004392, 0.00006069, 0.00001204 ], [ -0.0001709, 0.0000059, 0.00011746 ], [ -0.00000126, 0.00023877, -0.00016892 ], [ 0.00039968, 0.00060233, -0.00071288 ], [ -0.0007819, -0.00038641, 0.0008314 ], [ 0.00065008, -0.0006609, -0.00002474 ], [ 0.00067268, -0.00063824, 0.00000708 ] ]
0.542211
25.567896
pbe
true
86d894a66932f9fad30563aa32b12fd2_74_Ni8Mo2Pt2Rh4
[ "Ce", "Dy", "Tb" ]
11
A7B3C
CeDy3Tb7
Tb7 Ce1 Dy3
3
[ 1, 1, 1 ]
3
[ [ 8.58849773, 0, 0 ], [ 0, 7.04633707, 0 ], [ 0, -3.52316854, 6.10230691 ] ]
agm003583885
[ [ 1.013601275808096, -1.737180939102389, 5.071166487706226 ], [ 1.013601275808096, -1.689755073659426e-9, 2.0622808445875482 ], [ 1.0119987480166552, 3.523168568565019, 2.0341022829923103 ], [ 3.8680238809842438, 5.277247818513234, 1.0213800875065746 ], [ 3.8680238809842438, 1.7690892498130062, 1.0213800875065746 ], [ 3.8680238809842438, 3.5231685316737713, 4.059534530373031 ], [ 1.013601275808096, 1.737180930792144, 5.071166487706226 ], [ 3.847614260863649, -3.85650187366952e-8, 4.06820462700769 ], [ 6.710745259198107, 1.7466592070548634, 3.059766373018913 ], [ 6.710745259198107, -4.02175613923707e-8, 6.085068930371425 ], [ 6.710745259198107, -1.7466592825323488, 3.059766373018913 ] ]
[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}]
[ "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Ce", "Dy", "Dy", "Dy" ]
2023-11-16 06:57:59
[ 0.09090909090909091, 0.2727272727272727, 0.6363636363636364 ]
[ [ 0.6379359, 0, 0 ], [ 0, 0.3171578, 0 ], [ 0, 0, 0.3171578 ] ]
-49.904949
[ 0.012, 0.012, -0.004, 0.024, 0.024, 0.024, 0.012, 0.615, 0.018, 0.018, 0.018 ]
[ [ -0.00396452, 0.00150549, -0.0008692 ], [ -0.00396452, 0, 0.00173839 ], [ 0.00514463, 0, 0 ], [ 0.0001903, 0.00143268, -0.00082716 ], [ 0.0001903, -0.00143268, -0.00082716 ], [ 0.0001903, 0, 0.00165431 ], [ -0.00396452, -0.00150549, -0.0008692 ], [ 0.00008249, 0, 0 ], [ 0.00203184, -0.00138919, 0.00080205 ], [ 0.00203184, 0, -0.00160409 ], [ 0.00203184, 0.00138919, 0.00080205 ] ]
0.955284
20.061022
pbe
true
d3f610a35b1ea30b1c40d46c29aa1822_156_Tb7Ce1Dy3
[ "Mo", "O", "P", "Rb" ]
36
A6BCD
MoO6PRb
Mo4 O24 P4 Rb4
4
[ 1, 1, 1 ]
3
[ [ -5.60880663, -6.35379265, 0 ], [ -5.60880663, 6.35379265, 0 ], [ 5.60880663, 0, -8.06359254 ] ]
mp-1198591
[ [ -4.728845557040737, 4.765344487499999, -2.015898135 ], [ -3.6843643879592642, -1.5884481625000006, -2.015898135 ], [ -0.8799610729592633, -4.765344487500001, -6.047694405 ], [ -1.9244422420407359, 1.5884481624999998, -6.047694405 ], [ -4.2066049725, -1.9827961762463961, -6.047694405 ], [ 1.4022016575, -1.1941001487536027, -6.047694405 ], [ -1.4022016575, 1.982796176246397, -2.015898135 ], [ -7.0110082875, 1.1941001487536038, -2.015898135 ], [ -1.4022016014119334, 4.7653444875, -4.152615899284209 ], [ -1.4022017135880658, -1.5884481625000006, -7.942772910715791 ], [ -4.206605028588067, -4.7653444875, -3.910976640715791 ], [ -4.206604916411934, 1.5884481624999995, -0.120819629284209 ], [ -0.36036588206556663, 4.078469766285398, -5.104770550922187 ], [ -0.36036582597750044, -0.9015735048233244, -6.990618259077813 ], [ -2.444037432934434, -2.2753228837146016, -6.990618259077813 ], [ -2.4440374890225, 5.4522191451766755, -5.104770550922187 ], [ -5.248440747934435, -4.078469766285398, -2.9588219890778134 ], [ -5.2484408040225, 0.9015735048233244, -1.072974280922187 ], [ -3.1647691970655667, 2.275322883714602, -1.072974280922187 ], [ -3.1647691409775, -5.4522191451766755, -2.9588219890778134 ], [ -6.332769459366476, -0.4974332799964536, -3.3184929704456603 ], [ -6.3327694032784105, -2.679463108541473, -0.7133032995543396 ], [ -7.689247115633524, -0.4974332799964536, -0.7133032995543396 ], [ -2.080440541721589, 3.6743295414585266, -3.3184929704456603 ], [ 0.7239628293664766, 0.4974332799964536, -4.745099569554339 ], [ 0.7239627732784095, 2.679463108541473, -7.350289240445661 ], [ 2.080440485633523, 0.49743327999645337, -7.350289240445661 ], [ -3.52836608827841, -3.6743295414585266, -4.745099569554339 ], [ -3.582212202392267, -0.8672656931062375, -4.881029081083702 ], [ 2.0265944276077335, -2.3096306318937625, -7.214359728916298 ], [ -4.830997742607733, -0.8672656931062379, -7.214359728916298 ], [ 0.7778088873922671, -2.3096306318937625, -4.881029081083702 ], [ -2.026594427607733, 0.8672656931062372, -3.182563458916298 ], [ -7.635401057607734, 2.309630631893762, -0.8492328110837022 ], [ -0.7778088873922667, 0.8672656931062375, -0.8492328110837022 ], [ -6.386615517392267, 2.3096306318937625, -3.182563458916298 ] ]
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "Rb", "Rb", "Rb", "Rb", "Mo", "Mo", "Mo", "Mo", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2019-01-12 03:20:48
[ 0.1111111111111111, 0.6666666666666666, 0.1111111111111111, 0.1111111111111111 ]
[ [ 2.34557808, 0, 0 ], [ 0, 2.36644834, 0 ], [ 0, 0, 0.83149708 ] ]
-244.144342
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00097567, 0, 0 ], [ 0.00097567, 0, 0 ], [ 0.00097567, 0, 0 ], [ -0.00097567, 0, 0 ], [ 0, -0.05951304, 0 ], [ 0, 0.05951304, 0 ], [ 0, 0.05951304, 0 ], [ 0, -0.05951304, 0 ], [ 0, 0, 0.09824939 ], [ 0, 0, -0.09824939 ], [ 0, 0, -0.09824939 ], [ 0, 0, 0.09824939 ], [ 0.02980795, -0.05118683, -0.06961424 ], [ 0.02980795, 0.05118683, 0.06961424 ], [ -0.02980795, -0.05118683, 0.06961424 ], [ -0.02980795, 0.05118683, -0.06961424 ], [ -0.02980795, 0.05118683, 0.06961424 ], [ -0.02980795, -0.05118683, -0.06961424 ], [ 0.02980795, 0.05118683, -0.06961424 ], [ 0.02980795, -0.05118683, 0.06961424 ], [ 0.02233682, 0.04387251, 0.03481768 ], [ 0.02233682, -0.04387251, -0.03481768 ], [ -0.02233682, 0.04387251, -0.03481768 ], [ -0.02233682, -0.04387251, 0.03481768 ], [ -0.02233682, -0.04387251, -0.03481768 ], [ -0.02233682, 0.04387251, 0.03481768 ], [ 0.02233682, -0.04387251, 0.03481768 ], [ 0.02233682, 0.04387251, -0.03481768 ], [ 0.09676776, 0.05607368, 0.15328566 ], [ 0.09676776, -0.05607368, -0.15328566 ], [ -0.09676776, 0.05607368, -0.15328566 ], [ -0.09676776, -0.05607368, 0.15328566 ], [ -0.09676776, -0.05607368, -0.15328566 ], [ -0.09676776, 0.05607368, 0.15328566 ], [ 0.09676776, -0.05607368, 0.15328566 ], [ 0.09676776, 0.05607368, -0.15328566 ] ]
0
0.131922
pbe
true
da2e7e8e04cdc64c626504a7318e4cc5_70_Rb4Mo4P4O24
[ "Mo", "O", "P", "Rb" ]
100
A17B3C3D2
Mo3O17P3Rb2
Rb8 Mo12 P12 O68
4
[ 1, 1, 1 ]
3
[ [ 9.71194654, 0, 0 ], [ 0, 11.01135803, -0.00530956 ], [ 0, 5.83072104, 14.84095379 ] ]
agm005226166
[ [ 3.5506844500816417, 11.985625401663407, 7.50606469131901 ], [ 6.161262089918358, 4.856453668336593, 7.32957953868099 ], [ 8.406657720081641, 7.771814188336593, 14.75005643368099 ], [ 1.3052888199183583, 9.070264881663407, 0.0855877963190097 ], [ 8.443264668816466, 5.526296100939641, 3.129403155814911 ], [ 1.2686818711835324, 11.31578296906036, 11.70624107418509 ], [ 3.5872913988164674, 8.40042244906036, 4.285764179185089 ], [ 6.124655141183532, 8.441656620939641, 10.549880050814911 ], [ 1.1262474344225464, 11.926742495626204, 3.5843606428444117 ], [ 8.585699105577453, 4.915336574373797, 11.251283587155589 ], [ 5.982220704422546, 1.9999760543737968, 3.830806692155588 ], [ 3.729725835577453, 14.842103015626204, 11.004837537844413 ], [ 6.024987552369832, 8.639392745410372, 0.9206602782931487 ], [ 3.686958987630167, 8.202686324589628, 13.914983951706851 ], [ 1.1690142823698326, 5.287325804589627, 6.494507056706851 ], [ 8.542932257630168, 11.554753265410373, 8.341137173293149 ], [ 7.349820305027424, 8.672906994883238, 5.975814860491286 ], [ 2.3621262349725747, 8.169172075116762, 8.859829369508713 ], [ 2.493847035027425, 5.253811555116763, 1.4393524745087138 ], [ 7.218099504972575, 11.588267514883238, 13.396291755491287 ], [ 7.982948218496345, 10.392045090454605, 3.000952774224869 ], [ 1.7289983215036544, 6.450033979545395, 11.83469145577513 ], [ 3.126974948496345, 3.5346734595453957, 4.4142145607751315 ], [ 6.584971591503654, 13.307405610454605, 10.42142966922487 ], [ 5.78013675456593, 4.052327951481094, 1.0427228998748623 ], [ 3.9318097854340692, 12.789751118518907, 13.792921330125138 ], [ 0.9241634845659306, 9.874390598518907, 6.3724444351251375 ], [ 8.787783055434069, 6.967688471481094, 8.463199794874862 ], [ 3.8817789841916555, 11.23940987940163, 1.8032009496241195 ], [ 5.830167555808345, 5.602669190598369, 13.032443280375881 ], [ 8.737752254191655, 2.6873086705983678, 5.61196638537588 ], [ 0.9741942858083443, 14.154770399401631, 9.223677844624119 ], [ 9.43016791074759, 12.503507666922342, 4.9192982217167796 ], [ 0.2817786292524094, 4.338571403077659, 9.91634600828322 ], [ 4.57419464074759, 1.423210883077659, 2.49586911328322 ], [ 5.137751899252409, 15.418868186922342, 12.33977511671678 ], [ 4.301424230388893, 13.901965230578481, 14.83329635531391 ], [ 5.410522309611107, 2.9401138394215187, 0.0023478746860892 ], [ 9.157397500388893, 5.855474359421519, 7.42282476968609 ], [ 0.5545490396111071, 10.986604710578483, 7.412819460313911 ], [ 7.402720695114012, 9.700856857325379, 4.251293041748952 ], [ 2.309225844885987, 7.141222212674621, 10.584351188251048 ], [ 2.5467474251140128, 4.225861692674621, 3.1638742932510477 ], [ 7.165199114885987, 12.616217377325379, 11.671769936748953 ], [ 5.664496315755754, 8.978846678619314, 6.257718028813862 ], [ 4.047450224244245, 7.863232391380687, 8.577926201186138 ], [ 0.8085230457557543, 4.947871871380687, 1.1574493061861377 ], [ 8.903423494244246, 11.894207198619315, 13.678194923813862 ], [ 7.340429532559503, 7.095580747254841, 5.238866271559858 ], [ 2.371517007440497, 9.74649832274516, 9.596777958440143 ], [ 2.4844562625595032, 6.831137802745159, 2.1763010634401425 ], [ 7.227490277440497, 10.010941267254841, 12.659343166559857 ], [ 7.63896194942967, 9.571562600000561, 1.724981562985015 ], [ 2.07298459057033, 7.270516469999438, 13.110662667014987 ], [ 2.78298867942967, 4.355155949999438, 5.690185772014985 ], [ 6.928957860570329, 12.486923120000561, 9.145458457985015 ], [ 6.492151216359051, 3.4098044927553426, 2.2415606330684987 ], [ 3.2197953236409487, 13.432274577244659, 12.594083596931501 ], [ 1.636177946359051, 10.516914057244659, 5.173606701931502 ], [ 8.075768593640948, 6.325165012755343, 9.662037528068499 ], [ 9.528351999727304, 10.425132533307119, 2.9992556149529346 ], [ 0.1835945402726946, 6.4169465366928815, 11.836388615047067 ], [ 4.672378729727305, 3.5015860166928814, 4.415911720047066 ], [ 5.039567810272694, 13.340493053307119, 10.419732509952935 ], [ 5.9190260394814205, 7.543696733743532, 2.2545301263943656 ], [ 3.7929205005185795, 9.298382336256468, 12.581114103605634 ], [ 1.0630527694814205, 6.383021816256468, 5.1606372086056345 ], [ 8.64889377051858, 10.459057253743532, 9.675007021394366 ], [ 6.8837321419980455, 4.9636574339498365, 0.3969924809526511 ], [ 2.8282143980019536, 11.878421636050165, 14.43865174904735 ], [ 2.027758871998046, 8.963061116050163, 7.018174854047349 ], [ 7.684187668001954, 7.879017953949837, 7.81746937595265 ], [ 8.372873354369736, 13.337117549816549, 7.04363416511746 ], [ 1.3390731856302636, 3.50496152018345, 7.79201006488254 ], [ 3.5169000843697362, 0.5896010001834501, 0.3715331698825399 ], [ 6.195046455630264, 16.25247806981655, 14.46411106011746 ], [ 4.76194832212604, 9.966637716992329, 1.9163589078725252 ], [ 4.94999821787396, 6.875441353007671, 12.919285322127475 ], [ 9.61792159212604, 3.9600808330076704, 5.498808427127475 ], [ 0.09402494787395979, 12.88199823699233, 9.336835802872525 ], [ 7.626389931753105, 10.604471260118864, 7.157370035611835 ], [ 2.085556608246894, 6.237607809881136, 7.678274194388165 ], [ 2.7704166617531056, 3.322247289881136, 0.257797299388165 ], [ 6.941529878246894, 13.519831780118865, 14.577846930611836 ], [ 7.382668730451271, 11.808250477502535, 2.8787567541268566 ], [ 2.3292778095487288, 5.033828592497465, 11.956887475873144 ], [ 2.526695460451271, 2.118468072497465, 4.5364105808731425 ], [ 7.1852510795487285, 14.723610997502535, 10.299233649126858 ], [ 2.5790497477839143, 10.860052523975574, 2.5893161194001353 ], [ 7.132896792216085, 5.982026546024426, 12.246328110599864 ], [ 7.435023017783914, 3.066666026024426, 4.825851215599865 ], [ 2.2769235222160855, 13.775413043975574, 10.009793014400136 ], [ 5.532782896780274, 11.985734559672979, 5.1277033431812145 ], [ 4.179163643219725, 4.856344510327022, 9.707940886818786 ], [ 0.6768096267802745, 1.940983990327022, 2.287463991818786 ], [ 9.035136913219725, 14.901095079672979, 12.548180238181214 ], [ 9.42967813728358, 9.025752136420923, 5.97159638219733 ], [ 0.28226840271642156, 7.816326933579077, 8.86404784780267 ], [ 4.5737048672835785, 4.900966413579077, 1.4435709528026701 ], [ 5.138241672716421, 11.941112656420923, 13.39207327719733 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Rb", "Rb", "Rb", "Rb", "Rb", "Rb", "Rb", "Rb", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.12, 0.68, 0.12, 0.08 ]
[ [ 0.5717597, 0, 0 ], [ 0, 0.5440944, -0.01193749 ], [ 0, -0.0119375, 0.5362956 ] ]
-692.716244
[ 0, 0, 0, 0, 0, 0, 0, 0, 1.02, 1.02, 1.02, 1.02, 0.005, 0.005, 0.005, 0.005, 0.001, 0.001, 0.001, 0.001, 0.004, 0.004, 0.004, 0.004, 0, 0, 0, 0, 0.006, 0.006, 0.006, 0.006, 0.015, 0.015, 0.015, 0.015, 0, 0, 0, 0, 0.001, 0.001, 0.001, 0.001, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -0.004, -0.004, -0.004, -0.004, 0.007, 0.007, 0.007, 0.007, -0.001, -0.001, -0.001, -0.001, 0, 0, 0, 0, -0.001, -0.001, -0.001, -0.001, 0, 0, 0, 0, 0, 0, 0, 0, 0.018, 0.018, 0.018, 0.018, 0.011, 0.011, 0.011, 0.011, -0.094, -0.094, -0.094, -0.094, 0, 0, 0, 0 ]
[ [ -0.00294057, 0.00298294, -0.00268053 ], [ 0.00294057, -0.00298294, 0.00268053 ], [ -0.00294057, -0.00298294, 0.00268053 ], [ 0.00294057, 0.00298294, -0.00268053 ], [ 0.00022908, 0.00097492, -0.00108826 ], [ -0.00022908, -0.00097492, 0.00108826 ], [ 0.00022908, -0.00097492, 0.00108826 ], [ -0.00022908, 0.00097492, -0.00108826 ], [ -0.00088665, -0.00247431, 0.00146812 ], [ 0.00088665, 0.00247431, -0.00146812 ], [ -0.00088665, 0.00247431, -0.00146812 ], [ 0.00088665, -0.00247431, 0.00146812 ], [ 0.00038079, 0.00132211, -0.00042899 ], [ -0.00038079, -0.00132211, 0.00042899 ], [ 0.00038079, -0.00132211, 0.00042899 ], [ -0.00038079, 0.00132211, -0.00042899 ], [ 0.00339596, 0.00204716, -0.00222035 ], [ -0.00339596, -0.00204716, 0.00222035 ], [ 0.00339596, -0.00204716, 0.00222035 ], [ -0.00339596, 0.00204716, -0.00222035 ], [ -0.00039425, 0.00116458, 0.00350589 ], [ 0.00039425, -0.00116458, -0.00350589 ], [ -0.00039425, -0.00116458, -0.00350589 ], [ 0.00039425, 0.00116458, 0.00350589 ], [ 0.00236731, -0.00127578, -0.00249958 ], [ -0.00236731, 0.00127578, 0.00249958 ], [ 0.00236731, 0.00127578, 0.00249958 ], [ -0.00236731, -0.00127578, -0.00249958 ], [ 0.00140335, 0.00132587, 0.00164189 ], [ -0.00140335, -0.00132587, -0.00164189 ], [ 0.00140335, -0.00132587, -0.00164189 ], [ -0.00140335, 0.00132587, 0.00164189 ], [ 0.00116295, 0.00062824, -0.00098768 ], [ -0.00116295, -0.00062824, 0.00098768 ], [ 0.00116295, -0.00062824, 0.00098768 ], [ -0.00116295, 0.00062824, -0.00098768 ], [ 0.00264537, -0.00063263, -0.00056691 ], [ -0.00264537, 0.00063263, 0.00056691 ], [ 0.00264537, 0.00063263, 0.00056691 ], [ -0.00264537, -0.00063263, -0.00056691 ], [ 0.00089524, -0.00240987, 0.00261848 ], [ -0.00089524, 0.00240987, -0.00261848 ], [ 0.00089524, 0.00240987, -0.00261848 ], [ -0.00089524, -0.00240987, 0.00261848 ], [ -0.00072905, -0.00069956, 0.00049249 ], [ 0.00072905, 0.00069956, -0.00049249 ], [ -0.00072905, 0.00069956, -0.00049249 ], [ 0.00072905, -0.00069956, 0.00049249 ], [ -0.00026713, -0.00188602, -0.00041143 ], [ 0.00026713, 0.00188602, 0.00041143 ], [ -0.00026713, 0.00188602, 0.00041143 ], [ 0.00026713, -0.00188602, -0.00041143 ], [ -0.00218477, -0.00228575, -0.00174992 ], [ 0.00218477, 0.00228575, 0.00174992 ], [ -0.00218477, 0.00228575, 0.00174992 ], [ 0.00218477, -0.00228575, -0.00174992 ], [ -0.00059786, -0.00072038, 0.00160096 ], [ 0.00059786, 0.00072038, -0.00160096 ], [ -0.00059786, 0.00072038, -0.00160096 ], [ 0.00059786, -0.00072038, 0.00160096 ], [ 0.00169058, 0.0009767, 0.00051676 ], [ -0.00169058, -0.0009767, -0.00051676 ], [ 0.00169058, -0.0009767, -0.00051676 ], [ -0.00169058, 0.0009767, 0.00051676 ], [ 0.00092174, 0.00075265, 0.00046914 ], [ -0.00092174, -0.00075265, -0.00046914 ], [ 0.00092174, -0.00075265, -0.00046914 ], [ -0.00092174, 0.00075265, 0.00046914 ], [ -0.00263214, -0.00066234, -0.00092085 ], [ 0.00263214, 0.00066234, 0.00092085 ], [ -0.00263214, 0.00066234, 0.00092085 ], [ 0.00263214, -0.00066234, -0.00092085 ], [ -0.00003488, 0.00135332, 0.00025333 ], [ 0.00003488, -0.00135332, -0.00025333 ], [ -0.00003488, -0.00135332, -0.00025333 ], [ 0.00003488, 0.00135332, 0.00025333 ], [ 0.00045936, -0.00123386, -0.00139429 ], [ -0.00045936, 0.00123386, 0.00139429 ], [ 0.00045936, 0.00123386, 0.00139429 ], [ -0.00045936, -0.00123386, -0.00139429 ], [ 0.00116304, 0.00195497, 0.00052119 ], [ -0.00116304, -0.00195497, -0.00052119 ], [ 0.00116304, -0.00195497, -0.00052119 ], [ -0.00116304, 0.00195497, 0.00052119 ], [ 0.00029305, 0.00214121, -0.00038749 ], [ -0.00029305, -0.00214121, 0.00038749 ], [ 0.00029305, -0.00214121, 0.00038749 ], [ -0.00029305, 0.00214121, -0.00038749 ], [ -0.00046364, 0.00183644, 0.00023192 ], [ 0.00046364, -0.00183644, -0.00023192 ], [ -0.00046364, -0.00183644, -0.00023192 ], [ 0.00046364, 0.00183644, 0.00023192 ], [ 0.00005052, -0.00018916, 0.00073564 ], [ -0.00005052, 0.00018916, -0.00073564 ], [ 0.00005052, 0.00018916, -0.00073564 ], [ -0.00005052, -0.00018916, 0.00073564 ], [ -0.00299984, -0.00220333, -0.00095435 ], [ 0.00299984, 0.00220333, 0.00095435 ], [ -0.00299984, 0.00220333, 0.00095435 ], [ 0.00299984, -0.00220333, -0.00095435 ] ]
3.999989
0
pbe
true
0bbbb7577109d5ce6810cc58fb8d6fea_14_Rb8Mo12P12O68
[ "Bi", "Ge", "Tl" ]
5
A2B2C
Bi2Ge2Tl
Tl1 Ge2 Bi2
3
[ 1, 1, 1 ]
3
[ [ 5.55254395, 0, 0 ], [ 0, 5.55254395, 0 ], [ 2.77627197, 2.77627197, 4.77120576 ] ]
agm002923369
[ [ 0, 0, 0 ], [ 2.776271973649489, 2.776271973649489, 1.2887129815804415 ], [ 5.55254394635051, 5.55254394635051, 3.4824927784195583 ], [ 5.552543947499999, 2.7762719725, 2.38560288 ], [ 2.7762719725, 5.552543947499999, 2.38560288 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}]
[ "Tl", "Ge", "Ge", "Bi", "Bi" ]
2023-11-16 06:57:59
[ 0.4, 0.4, 0.2 ]
[ [ 2.0452137, 0, 0 ], [ 0, 2.0452137, 0 ], [ 0, 0, 3.0707648 ] ]
-18.569107
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.01842046 ], [ 0, 0, -0.01842046 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.458267
pbe
true
90c10044419bb6a433d3aa3c1723456a_139_Tl1Ge2Bi2
[ "Bi", "H", "Hg" ]
12
ABC
BiHHg
Hg4 Bi4 H4
3
[ 1, 1, 1 ]
3
[ [ 8.95551571, 0, 0 ], [ 0, 4.60661771, 0 ], [ 0, 0, 7.89550029 ] ]
agm003073193
[ [ 7.849043295667138, 1.1516544275, 6.116231455817845 ], [ 5.5842302693328625, 3.4549632825, 2.1684813108178442 ], [ 1.1064724143328626, 3.4549632825, 1.7792688341821554 ], [ 3.3712854406671373, 1.1516544275, 5.727018979182155 ], [ 3.429126698648786, 1.1516544275, 3.860261290611554 ], [ 1.0486311563512143, 3.4549632825, 7.8080114356115535 ], [ 5.526389011351214, 3.4549632825, 4.035238999388447 ], [ 7.906884553648786, 1.1516544275, 0.0874888543884465 ], [ 7.935147892564075, 1.1516544275, 3.803794409547537 ], [ 5.4981256724359255, 3.4549632825, 7.751544554547538 ], [ 1.0203678174359256, 3.4549632825, 4.091705880452462 ], [ 3.4573900375640747, 1.1516544275, 0.1439557354524627 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}]
[ "H", "H", "H", "H", "Bi", "Bi", "Bi", "Bi", "Hg", "Hg", "Hg", "Hg" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 5.0271935, 0, 0 ], [ 0, 7.7261314, 0 ], [ 0, 0, 3.714241 ] ]
-27.801239
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00418865, 0, 0.01180627 ], [ -0.00418865, 0, 0.01180627 ], [ -0.00418865, 0, -0.01180627 ], [ 0.00418865, 0, -0.01180627 ], [ 0.04837572, 0, 0.0046712 ], [ -0.04837572, 0, 0.0046712 ], [ -0.04837572, 0, -0.0046712 ], [ 0.04837572, 0, -0.0046712 ], [ -0.02591968, 0, -0.02104011 ], [ 0.02591968, 0, -0.02104011 ], [ 0.02591968, 0, 0.02104011 ], [ -0.02591968, 0, 0.02104011 ] ]
0
0.195539
pbe
true
fb077cf7da194d90e7c8323a9045a240_62_Hg4Bi4H4
[ "Ce", "Dy", "Y" ]
4
A2BC
Ce2DyY
Ce2 Dy1 Y1
3
[ 1, 1, 1 ]
3
[ [ 3.49738464, 0, 0 ], [ 1.74869232, 3.02882394, 0 ], [ 1.74869232, 1.00960798, 11.54530677 ] ]
agm005108625
[ [ 1.74869232, 1.00960798, 8.632604593277799 ], [ 1.748692302513077, 1.0096079699039202, 2.9193342627431593 ], [ 3.4973846225130765, 2.01921594990392, 5.812310705583475 ], [ 5.246075228794603, 3.0288229404880997, 11.499005702635728 ] ]
[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Ce", "Ce", "Dy", "Y" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 2.088075, 0, 0 ], [ 0, 2.088075, 0 ], [ 0, 0, 1.9052545 ] ]
-22.543247
[ 0.429, 0.741, 0.029, 0.007 ]
[ [ 0, 0, 0.00348962 ], [ 0, 0, -0.0064753 ], [ 0, 0, 0.00479264 ], [ 0, 0, -0.00180695 ] ]
1.505609
10.3275
pbe
true
d1fb4fff350108bc28d3225814d0acf9_160_Ce2Dy1Y1
[ "Mo", "O", "P", "Tl" ]
68
A11B2C2D2
Mo2O11P2Tl2
Mo8 O44 P8 Tl8
4
[ 1, 1, 1 ]
3
[ [ -10.05119405, 0, 1.35070388 ], [ 0.00687953, 0, -10.13783591 ], [ 0, -10.38681641, 0 ] ]
mp-1217035
[ [ -10.042981000579285, -5.193385561740226, -3.7171856671405847 ], [ -0.004773284420713599, 0.000022643259773799998, -0.0010284078594155 ], [ -2.4092634252494967, -7.058315908764117, -1.899931645828659 ], [ -7.638490859750504, -1.8649077037641164, -1.8182824291713413 ], [ -7.605492062971648, -3.370159529020455, -6.984148654358069 ], [ -2.435382692028351, -8.563567734020454, -6.87190133064193 ], [ -4.841192274554513, -6.030810378353113, -9.414548505052604 ], [ -5.199682480445485, -0.8374021733531123, -4.441501479947394 ], [ -6.566567196027752, -6.079041041012127, -2.822073220654278 ], [ -3.4811870889722476, -0.885632836012127, -0.8961408543457218 ], [ -3.4704782102209184, -4.31564545978173, -5.979645974635768 ], [ -6.570396544779081, -9.50905366478173, -7.876404010364231 ], [ -9.272231546912145, -8.54515481683412, -2.3230998021735836 ], [ -0.7755227380878537, -3.3517466118341197, -1.3951142728264159 ], [ -0.7672743450912843, -1.843806678490873, -6.465028045016105 ], [ -9.273600409908715, -7.037214883490874, -7.3910219399838955 ], [ -6.076634839685631, -9.091022735499946, -1.05879080240444 ], [ -3.971119445314369, -3.8976145304999474, -2.6594232725955598 ], [ -3.964798719539485, -1.2907824510548842, -7.731819426504905 ], [ -6.076076035460513, -6.484190656054884, -6.124230558495094 ], [ -8.781302938379342, -5.987389434900913, -0.3069582822071859 ], [ -1.2664513466206573, -0.7939812299009125, -3.4112557927928138 ], [ -1.2553620952585478, -4.399990563757494, -8.479757701325696 ], [ -8.785512659741451, -9.593398768757494, -5.376292283674303 ], [ -8.710021036593252, -9.820668647766304, -3.8472288368694003 ], [ -1.3377332484067472, -4.627260442766304, 0.1290147618694004 ], [ -1.3363623987240438, -0.5686781984475, -4.9418798191014615 ], [ -8.704512356275956, -5.7620864034474994, -8.914170165898538 ], [ -5.784813586362327, -6.745183723506534, -4.623472595918572 ], [ -4.256061168637673, -1.5517755185065338, -9.232577389081428 ], [ -4.261377477321065, -3.622895700635139, -4.173203063934099 ], [ -5.786376807678935, -8.81630390563514, 0.4549889889340994 ], [ -9.323247631277491, -7.419651647089883, -0.592555609058605 ], [ -0.7245066537225077, -2.2262434420898836, -3.125658465941395 ], [ -0.7234236477292902, -2.966549655642316, -8.195658911822921 ], [ -9.317451107270708, -8.159957860642315, -5.660391073177079 ], [ -0.762993732127046, -7.95802558158406, -4.258584285623811 ], [ -9.284760552872955, -2.7646173765840603, 0.5403702106238115 ], [ -9.27881783372171, -2.4274445931410398, -4.526671108304456 ], [ -0.7620569212782902, -7.62085279814104, -9.329378876695545 ], [ -7.571519869269395, -9.425880297565177, -1.3170444678348452 ], [ -2.4762344157306044, -4.232472092565178, -2.4011696071651554 ], [ -2.470002219323397, -0.9575682910820433, -7.469883187287918 ], [ -7.570872535676602, -6.150976496082044, -6.3861667977120815 ], [ -4.74373053390282, -5.182841904402435, -2.2072217699673664 ], [ -5.304023751097179, -10.376250109402434, -1.5109923050326333 ], [ -5.297484482172353, -5.201921239729637, -6.604492972993507 ], [ -4.7433902728276465, -0.008513034729636, -7.251557012006494 ], [ -8.074573969995816, -7.250857778710583, -3.133493551172454 ], [ -1.9731803150041827, -2.057449573710584, -0.5847205238275458 ], [ -1.9737551325394187, -3.1347855442440706, -5.655564995913001 ], [ -8.067119622460583, -8.32819374924407, -8.200484989086998 ], [ -0.2513288947203635, -10.184659983443616, -2.771310420590007 ], [ -9.796425390279635, -4.991251778443616, -0.9469036544099929 ], [ -9.804596693979372, -0.1993642425690477, -6.013328689933369 ], [ -0.23627806102062698, -5.3927724475690475, -7.842721295066631 ], [ -7.350145669966333, -5.75767024071446, -0.870148802493804 ], [ -2.697608615033667, -0.5642620357144602, -2.848065272506196 ], [ -2.68145195393552, -4.642401616651654, -7.9056957221397735 ], [ -7.359422801064479, -9.835809821651653, -5.950354262860227 ], [ -7.148421241899272, -4.553401764769912, -3.417794775207729 ], [ -2.899333043100726, -9.746809969769911, -0.30041929979227033 ], [ -2.8991295364442835, -5.831438553408086, -5.353240424908715 ], [ -7.141745218555716, -0.6380303484080854, -8.502809560091286 ], [ -5.608715831832902, -7.843548946411871, -1.845513376202041 ], [ -4.439038453167097, -2.650140741411871, -1.8727006987979586 ], [ -4.437051742932943, -2.5038040010563036, -6.886397293864567 ], [ -5.603823012067056, -7.697212206056303, -6.969652691135432 ] ]
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}]
[ "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2019-01-12 18:26:26
[ 0.11764705882352941, 0.6470588235294118, 0.11764705882352941, 0.11764705882352941 ]
[ [ -1.17316944, 0, -1.30241615 ], [ 0, -1.2889291, 0 ], [ -1.30241597, 0, 1.20385285 ] ]
-459.908821
[ -0.005, -0.005, -0.001, -0.001, -0.001, -0.001, 0.001, 0.001, 1.005, 1.005, 1.008, 1.008, 1.004, 1.004, 1.006, 1.006, 0.003, 0.003, 0.004, 0.004, 0.011, 0.011, 0.011, 0.011, 0.005, 0.005, 0.005, 0.005, 0.013, 0.013, 0.012, 0.012, 0.011, 0.011, 0.011, 0.011, -0.076, -0.076, -0.078, -0.078, -0.002, -0.002, -0.002, -0.002, 0.015, 0.015, 0.015, 0.015, 0.053, 0.053, 0.05, 0.05, 0.01, 0.01, 0.01, 0.01, 0.006, 0.006, 0.007, 0.007, -0.078, -0.078, -0.08, -0.08, -0.003, -0.003, -0.003, -0.003 ]
[ [ 0.01425762, 0.00281235, -0.01002478 ], [ -0.01425762, 0.00281235, 0.01002478 ], [ 0.03297056, -0.07282729, -0.09714712 ], [ -0.03297056, -0.07282729, 0.09714712 ], [ -0.00883519, 0.02423206, -0.07568073 ], [ 0.00883519, 0.02423206, 0.07568073 ], [ -0.14672239, -0.03023242, -0.0355444 ], [ 0.14672239, -0.03023242, 0.0355444 ], [ -0.10537435, 0.05922859, -0.05357298 ], [ 0.10537435, 0.05922859, 0.05357298 ], [ 0.14158188, -0.08783817, 0.03146309 ], [ -0.14158188, -0.08783817, -0.03146309 ], [ -0.05105583, 0.02997534, -0.02325246 ], [ 0.05105583, 0.02997534, 0.02325246 ], [ 0.1006483, -0.03623682, 0.0279312 ], [ -0.1006483, -0.03623682, -0.0279312 ], [ -0.11150851, -0.01256755, -0.0122249 ], [ 0.11150851, -0.01256755, 0.0122249 ], [ 0.09713187, 0.02047418, -0.07023289 ], [ -0.09713187, 0.02047418, 0.07023289 ], [ -0.08339018, -0.00403122, -0.07099103 ], [ 0.08339018, -0.00403122, 0.07099103 ], [ 0.08761928, 0.01043063, 0.03568728 ], [ -0.08761928, 0.01043063, -0.03568728 ], [ -0.04009718, -0.05237225, -0.04802923 ], [ 0.04009718, -0.05237225, 0.04802923 ], [ 0.03244578, 0.04152337, 0.02929784 ], [ -0.03244578, 0.04152337, -0.02929784 ], [ 0.0521649, 0.06824789, -0.00158155 ], [ -0.0521649, 0.06824789, 0.00158155 ], [ -0.04315911, -0.05201929, -0.06190966 ], [ 0.04315911, -0.05201929, 0.06190966 ], [ 0.0124224, 0.05422911, -0.01574454 ], [ -0.0124224, 0.05422911, 0.01574454 ], [ -0.01118756, -0.0371197, 0.02802795 ], [ 0.01118756, -0.0371197, -0.02802795 ], [ 0.05458691, 0.00076747, 0.04521733 ], [ -0.05458691, 0.00076747, -0.04521733 ], [ -0.07070913, 0.00716129, -0.05006103 ], [ 0.07070913, 0.00716129, 0.05006103 ], [ 0.06318408, 0.05145933, 0.02409026 ], [ -0.06318408, 0.05145933, -0.02409026 ], [ -0.04499156, -0.02643549, 0.00487855 ], [ 0.04499156, -0.02643549, -0.00487855 ], [ 0.01790918, 0.00443596, 0.03377703 ], [ -0.01790918, 0.00443596, -0.03377703 ], [ -0.02406608, 0.02401431, -0.03689261 ], [ 0.02406608, 0.02401431, 0.03689261 ], [ -0.00880746, 0.03864207, 0.02488351 ], [ 0.00880746, 0.03864207, -0.02488351 ], [ 0.0117133, -0.04999427, -0.03074953 ], [ -0.0117133, -0.04999427, 0.03074953 ], [ -0.00709071, 0.00543662, -0.03848491 ], [ 0.00709071, 0.00543662, 0.03848491 ], [ -0.00454189, -0.00436304, 0.02573711 ], [ 0.00454189, -0.00436304, -0.02573711 ], [ 0.07032417, -0.02579, -0.04937869 ], [ -0.07032417, -0.02579, 0.04937869 ], [ -0.06804093, 0.02661595, 0.0471601 ], [ 0.06804093, 0.02661595, -0.0471601 ], [ 0.01386419, -0.10626383, 0.12886196 ], [ -0.01386419, -0.10626383, -0.12886196 ], [ -0.04459587, 0.13432289, -0.11906287 ], [ 0.04459587, 0.13432289, 0.11906287 ], [ 0.01911213, 0.04064159, -0.01120729 ], [ -0.01911213, 0.04064159, 0.01120729 ], [ -0.01726031, -0.04655967, 0.02412052 ], [ 0.01726031, -0.04655967, -0.02412052 ] ]
7.894
2.314393
pbe
true
7a37380182904e213b156e3f31fd3c55_4_Tl8Mo8P8O44
[ "O", "Tl" ]
5
A3B2
O3Tl2
Tl2 O3
2
[ 1, 1, 1 ]
3
[ [ 3.59511493, 0, 0 ], [ -1.79755747, 3.11346086, 0 ], [ 0, 0, 6.52686615 ] ]
agm005230707
[ [ 1.797557481308908, 1.0378202762884638, 1.7595652485268305 ], [ -2.13089081141348e-8, 2.0756405837115364, 4.7673009014731695 ], [ 0, 0, 3.263433075 ], [ 1.797557481308908, 1.0378202762884638, 5.51987728677923 ], [ -2.13089081141348e-8, 2.0756405837115364, 1.0069888632207706 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}]
[ "Tl", "Tl", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.6, 0.4 ]
[ [ 0.6208112, 0, 0 ], [ 0, 0.6208112, 0 ], [ 0, 0, 0.6943044 ] ]
-22.443584
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.00417744 ], [ 0, 0, -0.00417744 ], [ 0, 0, 0 ], [ 0, 0, 0.00077854 ], [ 0, 0, -0.00077854 ] ]
-0.000071
3.478505
pbe
true
8ac81351ee341f2ef07d07c8b9c6c7f3_164_Tl2O3
[ "Ce", "Eu", "Rh" ]
3
ABC
CeEuRh
Ce1 Eu1 Rh1
3
[ 1, 1, 1 ]
3
[ [ 3.57791693, 0, 0 ], [ 0, 3.57791693, 0 ], [ -1.78895847, -1.78895847, 6.28813232 ] ]
agm001841922
[ [ -1.8128958404293898e-8, -1.8128958404293898e-8, 0.30104276278692 ], [ 1.7889584810357273, 1.7889584810357273, 2.3314601896035567 ], [ -2.906768842006848e-9, -2.906768842006848e-9, 3.6556293676095235 ] ]
[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]
[ "Eu", "Rh", "Ce" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 3.9733865, 0, 0 ], [ 0, 3.9733865, 0 ], [ 0, 0, 4.057908 ] ]
-24.716069
[ 6.885, -0.086, 0.615 ]
[ [ 0, 0, 0.00762072 ], [ 0, 0, -0.01686515 ], [ 0, 0, 0.00924443 ] ]
7.94686
5.556794
pbe
true
fdb3fe1c88971aea05c39b31b6df9f90_107_Ce1Eu1Rh1