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
⌀
[ "P", "Pm", "Pr", "Rh" ]
9
A5B2CD
P2PmPrRh5
Pm1 Pr1 P2 Rh5
4
[ 1, 1, 1 ]
3
[ [ 4.07913869, 0, 0 ], [ 0, 4.07913869, 0 ], [ 0, 0, 10.83148702 ] ]
agm005172993
[ [ 0, 0, 0 ], [ 0, 0, 5.41574351 ], [ 2.039569345, 2.039569345, 3.1449505264381226 ], [ 2.039569345, 2.039569345, 7.686536493561878 ], [ 0, 2.039569345, 2.1712876866998547 ], [ 2.039569345, 0, 2.1712876866998547 ], [ 0, 2.039569345, 8.660199333300145 ], [ 2.039569345, 0, 8.660199333300145 ], [ 2.039569345, 2.039569345, 5.41574351 ] ]
[{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Pm", "Pr", "P", "P", "Rh", "Rh", "Rh", "Rh", "Rh" ]
2023-11-16 06:57:59
[ 0.2222222222222222, 0.1111111111111111, 0.1111111111111111, 0.5555555555555556 ]
[ [ 6.9018655, 0, 0 ], [ 0, 6.9018655, 0 ], [ 0, 0, 6.979165 ] ]
-63.822581
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00094082 ], [ 0, 0, -0.00094082 ], [ 0, 0, -0.00931732 ], [ 0, 0, -0.00931732 ], [ 0, 0, 0.00931732 ], [ 0, 0, 0.00931732 ], [ 0, 0, 0 ] ]
-0
4.510876
pbe
true
7bcf9200f9f0580c79078dfa538903ea_123_Pm1Pr1P2Rh5
[ "P", "Pm", "Rh", "Sb" ]
10
A4B3C2D
PPm2Rh4Sb3
Pm2 Sb3 P1 Rh4
4
[ 1, 1, 1 ]
3
[ [ 4.4450017, 0, 0 ], [ 0, 4.4450017, 0 ], [ 0, 0, 10.32223056 ] ]
agm004539016
[ [ 2.22250085, 0, 2.688175461039365 ], [ 0, 2.22250085, 7.634055098960635 ], [ 0, 0, 5.16111528 ], [ 2.22250085, 0, 8.882322440581435 ], [ 0, 2.22250085, 1.4399081194185646 ], [ 2.22250085, 2.22250085, 5.16111528 ], [ 2.22250085, 2.22250085, 0 ], [ 0, 0, 0 ], [ 2.22250085, 0, 6.303816240682929 ], [ 0, 2.22250085, 4.0184143193170705 ] ]
[{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Pm", "Pm", "Sb", "Sb", "Sb", "P", "Rh", "Rh", "Rh", "Rh" ]
2023-11-16 06:57:59
[ 0.1, 0.2, 0.4, 0.3 ]
[ [ 5.05238, 0, 0 ], [ 0, 5.05238, 0 ], [ 0, 0, 4.7547565 ] ]
-64.894302
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.00614429 ], [ 0, 0, -0.00614429 ], [ 0, 0, 0 ], [ 0, 0, -0.00249576 ], [ 0, 0, 0.00249576 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00207751 ], [ 0, 0, -0.00207751 ] ]
0.000005
6.495028
pbe
true
ac5e6130572d3c268e71f2a2bb68e7c5_115_Pm2Sb3P1Rh4
[ "Pb", "Rb", "Tb", "Te" ]
12
A3BCD
PbRbTbTe3
Pb1 Rb1 Tb1 Te3
4
[ 1, 1, 1 ]
3
[ [ 2.26061809, -8.538878218, 0 ], [ 2.26061809, 8.538878218, 0 ], [ 0, 0, 12.795459565 ] ]
oqmd-7476984
[ [ 2.26062, -7.14306, 3.19886 ], [ 2.26062, 7.14306, 9.59659 ], [ 2.26062, 4.833959999999999, 3.19886 ], [ 2.26062, -4.83396, 9.59659 ], [ 2.26062, -2.236858191418103e-16, 0 ], [ 2.26062, -2.236858191418103e-16, 6.39773 ], [ 2.26062, -6.398029999999999, 0.14247 ], [ 2.26062, -0.62812, 3.19886 ], [ 2.26062, -6.398029999999999, 6.25526 ], [ 2.26062, 6.398029999999999, 6.5402 ], [ 2.26062, 0.6281200000000003, 9.59659 ], [ 2.26062, 6.398029999999999, 12.65299 ] ]
[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"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"]}]
[ "Pb", "Pb", "Rb", "Rb", "Tb", "Tb", "Te", "Te", "Te", "Te", "Te", "Te" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]
[ [ 2.50340006, 0, 0 ], [ 0, 3.04272228, 0 ], [ 0, 0, 2.77320812 ] ]
-48.329
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.058021, 0 ], [ 0, -0.058021, 0 ], [ 0, 0.019246, 0 ], [ 0, -0.019246, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.020003, 0.011729 ], [ 0, 0.016914, 0 ], [ 0, 0.020003, -0.011729 ], [ 0, -0.020003, 0.011729 ], [ 0, -0.016914, 0 ], [ 0, -0.020003, -0.011729 ] ]
-0.00538
null
pbe
true
abf6d29769d0042ee92187043b2c64a6_63_Rb2Tb2Te6Pb2
[ "Cd", "F", "Pa" ]
8
A6BC
CdF6Pa
Pa1 Cd1 F6
3
[ 1, 1, 1 ]
3
[ [ 6.31167467, 0, 0 ], [ 3.15583733, 5.4660706, 0 ], [ 3.15583733, 1.82202353, 5.15346079 ] ]
agm002362338
[ [ 4.716395546969925, 2.7230122367125533, 3.8792703410067184 ], [ 7.906953783030075, 4.565081893287448, 1.2741904489932812 ], [ 4.716395546969926, 4.565081893287448, 1.2741904489932812 ], [ 7.906953783030075, 2.7230122367125533, 3.8792703410067184 ], [ 6.3116746624724955, 5.48611671904739, 3.8792703410067184 ], [ 6.311674667527505, 1.8019774109526112, 1.2741904489932812 ], [ 0, 0, 0 ], [ 6.311674665000001, 3.644047065, 2.576730395 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}]
[ "F", "F", "F", "F", "F", "F", "Pa", "Cd" ]
2023-11-16 06:57:59
[ 0.125, 0.75, 0.125 ]
[ [ 1.7942637, 0, 0 ], [ 0, 1.7942637, 0 ], [ 0, 0, 1.7942637 ] ]
-47.433385
[ -0.009, -0.009, -0.008, -0.008, -0.009, -0.009, 1.027, -0.003 ]
[ [ -0.00327064, -0.0018883, 0.00267046 ], [ 0.00327064, 0.0018883, -0.00267046 ], [ -0.00327064, 0.0018883, -0.00267046 ], [ 0.00327064, -0.0018883, 0.00267046 ], [ 0, 0.00377661, 0.00267046 ], [ 0, -0.00377661, -0.00267046 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.000591
1.249225
pbe
true
c723eb9014ac332fb21f4577a10278c2_225_Pa1Cd1F6
[ "K", "Sm", "Sn", "Te" ]
12
A3BCD
KSmSnTe3
K1 Sm1 Sn1 Te3
4
[ 1, 1, 1 ]
3
[ [ 2.387770362, -7.944276628, 0 ], [ 2.387770362, 7.944276628, 0 ], [ 0, 0, 12.4267358 ] ]
oqmd-7483980
[ [ 2.3877699999999997, 3.918489999999999, 3.10668 ], [ 2.38777, -3.91849, 9.32005 ], [ 2.38777, -2.6488634406027923e-16, 0 ], [ 2.38777, -2.6488634406027923e-16, 6.213369999999999 ], [ 2.3877699999999993, -7.351549999999998, 3.10668 ], [ 2.3877699999999997, 7.351549999999998, 9.32005 ], [ 2.38777, -5.83609, 0.45585 ], [ 2.3877699999999997, -1.2251500000000006, 3.10668 ], [ 2.38777, -5.83609, 5.75751 ], [ 2.38777, 5.83609, 6.66922 ], [ 2.38777, 1.2251499999999995, 9.32005 ], [ 2.38777, 5.83609, 11.97088 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "K", "K", "Sm", "Sm", "Sn", "Sn", "Te", "Te", "Te", "Te", "Te", "Te" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]
[ [ 0.71606633, 0, 0 ], [ 0, 0.91377938, 0 ], [ 0, 0, 0.30290901 ] ]
-48.6699
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.035209, 0 ], [ 0, -0.035209, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.053006, 0 ], [ 0, -0.053006, 0 ], [ 0, -0.003436, 0.004454 ], [ 0, 0.031412, 0 ], [ 0, -0.003436, -0.004454 ], [ 0, 0.003436, 0.004454 ], [ 0, -0.031412, 0 ], [ 0, 0.003436, -0.004454 ] ]
0.000438
null
pbe
true
f210480f9d9d2e244cbc2b585e6e130c_63_K2Sm2Sn2Te6
[ "Be", "Br", "Li" ]
4
A2BC
Be2BrLi
Li1 Be2 Br1
3
[ 1, 1, 1 ]
3
[ [ 3.18611499, 0, 0 ], [ 0, 3.23332395, 0.00767909 ], [ 0, 1.64661532, 6.18179079 ] ]
agm004077712
[ [ 0, 0.19910988119515172, 0.2656813061175368 ], [ 1.593057495, 1.8117388230191482, 0.8312630689734412 ], [ 0, 1.846987675760577, 3.6208204626237177 ], [ 1.593057495, 3.462072525025123, 4.566439982285305 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
[ "Be", "Be", "Br", "Li" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ -0.4073419, 0, 0 ], [ 0, -0.3056711, -0.02841897 ], [ 0, -0.02841882, -0.44039267 ] ]
-10.63091
[ 0, 0, 0, 0 ]
[ [ 0, -0.01319516, 0.00633903 ], [ 0, 0.01038656, -0.006265 ], [ 0, 0.00249996, -0.00163914 ], [ 0, 0.00030864, 0.00156512 ] ]
-0
0.533722
pbe
true
0dce92ec25040e8681247d2e9f0df2a8_6_Li1Be2Br1
[ "Be", "Br", "Li" ]
4
A2BC
Be2BrLi
Li1 Be2 Br1
3
[ 1, 1, 1 ]
3
[ [ 4.03898326, 0, 0 ], [ 0, 4.03898326, 0 ], [ 0, 0, 4.55719582 ] ]
agm003887609
[ [ 0, 0, 0.0556316033969844 ], [ 0, 0, 2.2229663066030154 ], [ 2.01949163, 2.01949163, 1.139298955 ], [ 2.01949163, 2.01949163, 3.4178968649999995 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
[ "Be", "Be", "Br", "Li" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ -0.1265259, 0, 0 ], [ 0, -0.1265259, 0 ], [ 0, 0, 0.09520265 ] ]
-9.123591
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0.00334424 ], [ 0, 0, -0.00334424 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000025
1.634366
pbe
true
616393b76d8131109c73459d032d35d8_123_Li1Be2Br1
[ "Ge", "In", "La" ]
11
A8B2C
GeIn2La8
La8 In2 Ge1
3
[ 1, 1, 1 ]
3
[ [ 6.4444539, 2e-8, -2.42949825 ], [ -0.50567711, 6.17707399, -1.34135282 ], [ -0.21208756, -0.63566827, 9.19940485 ] ]
agm005901484
[ [ 0, 0, 0 ], [ 4.025784845853849, 3.430015863075817, 0.916747842337305 ], [ 1.7009043841461506, 2.111389876924183, 4.511805937662696 ], [ 2.5625238259661614, 0.3067882046884903, 1.8376294573553478 ], [ 5.732806479751452, 0.30678821452728416, 0.6424628413948051 ], [ 3.1641654040338385, 5.23461753531151, 3.590924322644654 ], [ 2.8565789075128962, 0.9648447852057833, 7.577323116832351 ], [ -0.006117249751452259, 5.234617525472716, 4.786090938605196 ], [ 5.330947549040787, 2.4873835366962047, 4.378824648639469 ], [ 0.3957416809592126, 3.054022203303796, 1.0497291313605317 ], [ 2.8701103224871036, 4.576560954794217, -2.14876933683235 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}]
[ "Ge", "In", "In", "La", "La", "La", "La", "La", "La", "La", "La" ]
2023-11-16 06:57:59
[ 0.09090909090909091, 0.18181818181818182, 0.7272727272727273 ]
[ [ 1.0139458, 0.01758489, 0.00429948 ], [ 0.01758479, 1.0626518, 0.04664511 ], [ 0.00429948, 0.04664537, 1.0237298 ] ]
-52.354556
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0.00062047, 0.00129093, 0.00164586 ], [ -0.00062047, -0.00129093, -0.00164586 ], [ -0.00005454, -0.00192198, -0.00199683 ], [ -0.00127726, -0.00192198, -0.00153588 ], [ 0.00005454, 0.00192198, 0.00199683 ], [ 0.0003713, 0.0011449, 0.00098492 ], [ 0.00127726, 0.00192198, 0.00153588 ], [ -0.00070903, 0.00528552, -0.00188076 ], [ 0.00070903, -0.00528552, 0.00188076 ], [ -0.0003713, -0.0011449, -0.00098492 ] ]
-0.000002
14.142484
pbe
true
1225022110cb1a0fa8520c8deedc53ea_12_La8In2Ge1
[ "Be", "Br", "Mg" ]
4
A2BC
BeBrMg2
Mg2 Be1 Br1
3
[ 1, 1, 1 ]
3
[ [ 3.21583687, 0.00580847, 0 ], [ -0.00686664, 3.21585937, 0 ], [ 0, 0, 7.64888186 ] ]
agm004146522
[ [ 1.604485115, 1.61083392, 1.912220465 ], [ 0, 0, 0.26859186331263485 ], [ 0, 0, 3.5558490666873652 ], [ 1.604485115, 1.61083392, 5.7366613950000005 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Be", "Mg", "Mg", "Br" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 1.2550317, 0.05684418, 0 ], [ 0.05684418, 1.2554989, 0 ], [ 0, 0, 1.8926693 ] ]
-8.676568
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.0123051 ], [ 0, 0, -0.0123051 ], [ 0, 0, 0 ] ]
-0.000001
0.801006
pbe
true
545ef188074e16b3806a45bb9e37d180_123_Mg2Be1Br1
[ "La", "Li", "Mg", "Tl" ]
11
A4B3C2D2
La3Li2Mg2Tl4
Li2 La3 Mg2 Tl4
4
[ 1, 1, 1 ]
3
[ [ 5.07786678, 0, 0 ], [ -2.53893339, 4.39756163, 0 ], [ 0, 0, 13.8813845 ] ]
agm004488647
[ [ 2.538933415389334, 1.4658538620081278, 12.00071537162939 ], [ -2.53893341362627e-8, 2.931707767991872, 1.88066912837061 ], [ 0, 0, 10.213147439775675 ], [ 0, 0, 0 ], [ 0, 0, 3.668237060224325 ], [ 2.538933415389334, 1.4658538620081278, 5.94423011216893 ], [ -2.53893341362627e-8, 2.931707767991872, 7.93715438783107 ], [ 2.538933415389334, 1.4658538620081278, 1.723950379573285 ], [ -2.53893341362627e-8, 2.931707767991872, 12.157434120426714 ], [ 2.538933415389334, 1.4658538620081278, 8.874111333539835 ], [ -2.53893341362627e-8, 2.931707767991872, 5.007273166460165 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Li", "Li", "La", "La", "La", "Mg", "Mg", "Tl", "Tl", "Tl", "Tl" ]
2023-11-16 06:57:59
[ 0.2727272727272727, 0.18181818181818182, 0.18181818181818182, 0.36363636363636365 ]
[ [ 2.599551, 0, 0 ], [ 0, 2.599551, 0 ], [ 0, 0, 2.5755253 ] ]
-33.745641
[ 0.001, 0.001, 0.026, 0.053, 0.026, 0.001, 0.001, 0.004, 0.004, 0.004, 0.004 ]
[ [ 0, 0, -0.00208075 ], [ 0, 0, 0.00208075 ], [ 0, 0, -0.00811698 ], [ 0, 0, 0 ], [ 0, 0, 0.00811698 ], [ 0, 0, -0.00127897 ], [ 0, 0, 0.00127897 ], [ 0, 0, -0.00085039 ], [ 0, 0, 0.00085039 ], [ 0, 0, 0.00122535 ], [ 0, 0, -0.00122535 ] ]
0.294552
10.591713
pbe
true
35c16729a7db333d694921cf467f9ae3_164_Li2La3Mg2Tl4
[ "Be", "Br", "Sb" ]
4
A2BC
Be2BrSb
Be2 Sb1 Br1
3
[ 1, 1, 1 ]
3
[ [ 3.34280458, -0.00000443, 2e-7 ], [ -0.00000489, 3.68857867, 0.00565076 ], [ 3.9e-7, -0.00843755, 6.22315483 ] ]
agm003866973
[ [ 1.6713989150000002, 2.760103625, 4.6716042925000005 ], [ 1.6714011650000002, 0.920033065, 1.5572014975000001 ], [ 3.3428033882624013, 0.9131730959295321, 5.803036595674415 ], [ -6.682624013e-7, 0.9184554840704681, 3.534521229325585 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
[ "Sb", "Br", "Be", "Be" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ -0.1051828, -0.00076689, -3.7e-7 ], [ -0.00076692, -0.4177992, -0.01510221 ], [ -4.7e-7, -0.01510234, -0.1713917 ] ]
-11.877471
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00001068, 0.0014751, 0.01379799 ], [ 0.00001068, -0.0014751, -0.01379799 ] ]
0
1.438058
pbe
true
6124cc2e36b5d5115ea4b0ee61367814_47_Be2Sb1Br1
[ "La", "Li", "N", "P" ]
10
A2BCD
LaLiN2P
Li2 La2 P2 N4
4
[ 1, 1, 1 ]
3
[ [ 4.03647209, 0, 0 ], [ 0, 5.6186824, 0.15881552 ], [ 0, -1.53091666, 6.12693797 ] ]
agm004996481
[ [ 1.9626330364894364, -0.382729165, 1.5317344925 ], [ 2.0738390535105635, -1.148187495, 4.5952034775 ], [ 1.0096846624519942, 1.661153705, 4.6746112375 ], [ 3.0267874275480056, 2.426612035, 1.6111422525 ], [ 0, 0, 0 ], [ 0, -0.76545833, 3.063468985 ], [ 2.9562690895587997, 2.774217930580127, 5.956537678359887 ], [ 2.9562690895587997, 0.548089479419873, 3.3926847966401126 ], [ 1.0801989639691105, 3.539676260580127, 2.8930686933598877 ], [ 1.0801989639691105, 1.313547809419873, 0.3292158116401127 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Li", "Li", "La", "La", "P", "P", "N", "N", "N", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.840969, 0, 0 ], [ 0, 0.6936558, -0.1074045 ], [ 0, -0.10740449, 0.7826983 ] ]
-62.792572
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00149391, 0, 0 ], [ 0.00149391, 0, 0 ], [ 0.00017302, 0, 0 ], [ -0.00017302, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00297104, -0.00196853, 0.00250826 ], [ -0.00297104, 0.00196853, -0.00250826 ], [ 0.00297104, -0.00196853, 0.00250826 ], [ 0.00297104, 0.00196853, -0.00250826 ] ]
-0.000054
4.421264
pbe
true
177a4236219bfdbf1dab0937ab5aa30a_13_Li2La2P2N4
[ "Be", "Br", "Sb" ]
4
A2BC
BeBr2Sb
Be1 Sb1 Br2
3
[ 1, 1, 1 ]
3
[ [ 3.57193018, 0, 0 ], [ 0, 5.32198675, -2.2730141 ], [ 0, 2.02496974, 4.726433 ] ]
agm003965331
[ [ 1.78596509, 3.673478245, 1.22670945 ], [ 0, 0, 0 ], [ 1.78596509, 2.660993375, -1.13650705 ], [ 0, 1.01248487, 2.3632165 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
[ "Sb", "Br", "Br", "Be" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 0.44590804, 0, 0 ], [ 0, 0.53119475, -0.12885725 ], [ 0, -0.12885731, 0.6692842 ] ]
-9.710495
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
1.288802
pbe
true
c35059f201857bec82a7bf9b8c8416da_47_Be1Sb1Br2
[ "Be", "Br", "Sc" ]
4
A2BC
Be2BrSc
Sc1 Be2 Br1
3
[ 1, 1, 1 ]
3
[ [ 3.1613764, 0, 0 ], [ 0, 4.26181593, 0 ], [ 0, 0, 4.96103903 ] ]
agm004109547
[ [ 0, 2.130907965, 2.480519515 ], [ 0, 0, 0 ], [ 1.5806882, 2.130907965, 0 ], [ 1.5806882, 0, 2.480519515 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "Sc", "Be", "Be", "Br" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 0.94612557, 0, 0 ], [ 0, -0.02362685, 0 ], [ 0, 0, 0.16317041 ] ]
-13.900161
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000001
2.058151
pbe
true
9a6a71b4c80b77e5efa55abe9781e012_47_Sc1Be2Br1
[ "La", "Li", "Ni", "O" ]
72
A4B3CD
LaLi3NiO4
La8 Li24 Ni8 O32
4
[ 1, 1, 1 ]
3
[ [ -5.67886735, 5.67886328, 6.42800175 ], [ 5.67886735, -5.67886328, 6.42800175 ], [ 5.67886328, 5.67886735, -6.42800175 ] ]
mp-776434
[ [ -3.8445571490188692, 5.468020786351054, 5.652006372218093 ], [ -1.8343122359811306, 5.8897078086489465, 3.989996252781907 ], [ -0.2108466204375795, 9.523420372230195, 0.7759954420619253 ], [ -0.21084458543757914, 3.844555057230196, 2.4380184175016097 ], [ 0.05409039835204153, 1.739678896128111, 4.034746972485127 ], [ 0.15804762000831024, 1.8234288514435606, 7.2727130450095645 ], [ 0.21084822930492944, 1.8343045789065244, 0.7759888855001399 ], [ 0.21084051543757887, 7.513175572769805, 2.4380054329380747 ], [ 1.7396788961281109, -0.05409039835204114, 8.821256527514873 ], [ 1.823423172580281, -0.1580532988756608, 5.583296882992185 ], [ 1.8343024871137803, 5.468028500214333, 3.9899898247801584 ], [ 3.8445587578862197, 5.889704164785667, 5.6520128002198415 ], [ 3.8554344285564386, 5.83691497000831, -0.8447112950095649 ], [ 3.855436463556439, 0.15804965500831103, 4.0587121700095645 ], [ 3.939186418871889, 0.05409243335204136, 0.8207460974851275 ], [ 3.9391900059505653, 5.732952126277394, 2.39324841379314 ], [ 5.52081769499169, -1.823426816443561, 2.369289579990435 ], [ 5.5208156599916896, 3.8554384985564396, 0.8447112950095651 ], [ 5.7329500912733655, 1.7396865532027586, 5.607249288793139 ], [ 5.624774916647959, -1.7396768611281113, 5.607255652514873 ], [ 5.624778503726635, 3.9391828317972415, -2.39324841379314 ], [ 5.836912935008311, 1.8234308864435607, 2.369289579990435 ], [ 7.418538589049434, -0.05408274127739406, 0.8207524612068597 ], [ 7.50229416644356, -0.15804558500831034, 4.0587121700095645 ], [ 2.677034224179247, 8.656635182261194, -2.589964937028495 ], [ 2.701095447738847, 2.677038180601941, 2.589964937028496 ], [ 2.701093355950173, 8.355903552390574, 0.6240360022515226 ], [ 2.6770362023905725, 2.9777699240498277, 5.803965747748476 ], [ 3.001827020820753, 2.7010974827388057, -0.6240359379715051 ], [ 2.977767889049827, 3.0018291126094256, 9.017966622748478 ], [ 2.9777698672611534, -2.6770361456019405, 7.052037687971504 ], [ 3.001829112609427, -2.977767889049827, 3.8380368772515228 ], [ -0.3115322858882285, 3.840925487960362, 5.590089416721427 ], [ 1.837937792039639, 5.367335064111772, 0.8379123332785723 ], [ 1.837939827039639, -0.3115302508882284, 2.376088541721427 ], [ 3.8409254879603614, 0.31153228588822823, 7.265914083278572 ], [ 5.367333029111771, 3.8409275229603606, 4.051913208278573 ], [ 0.31153025088822855, 1.8379398270396392, 10.479914958278572 ], [ 5.990395565888229, 1.8379418620396395, -0.837912333278573 ], [ 3.840923452960361, 5.990397600888229, -4.051913208278572 ], [ -2.0399621297327286, 4.6451494193623315, 5.564675669002627 ], [ -1.0337102167702783, 2.0399543022921423, 2.350668366000878 ], [ -1.0929032225823099, 1.9782159857106425, 5.657153466059371 ], [ -0.9208680298207078, 1.8542310278073368, 8.917972756085513 ], [ 0.9208659948207072, 3.8246342871926635, 7.152031618914487 ], [ 0.9711961852103258, 3.674015407349475, 4.07403639762153 ], [ 1.033708181770278, 3.6389110127078577, 0.8633325089991221 ], [ 1.854225292151313, 0.9208737654726202, 3.9380242516327204 ], [ 1.8542232571513133, 6.599739080472619, -0.7240233766327206 ], [ 2.039960094732728, 1.0337158956376689, 10.505328705997373 ], [ 2.004855643306549, 0.971192484558413, 0.8600420149032976 ], [ 2.0048479294391983, 6.650063478421694, 2.3539652880984523 ], [ 1.9782103636360364, 1.0928974869263268, 7.198856526222397 ], [ 3.7006549513639633, -1.092895451926327, 2.4431460987776026 ], [ 3.700647237496614, 4.585975541936953, 0.7708483482206481 ], [ -2.004857678306549, 4.707672830441587, 2.3539588600967027 ], [ 3.638908920923294, 4.6451457187104195, 4.077333448279141 ], [ 3.8246379878486865, 4.75799358452738, -2.4899774983672804 ], [ 3.8246400228486865, -0.9208717304726197, 5.7039783733672795 ], [ 4.645149362573698, 2.039962072944054, 7.291327895277391 ], [ 4.58596777128504, 1.9782123418473623, 3.9848557155024147 ], [ -0.9712059340776755, 7.683720901513806, 4.074042954183314 ], [ 4.707669129789674, -3.6740133723494743, 5.567966227378471 ], [ 4.757997285179293, 1.854233062807337, 0.7240168843509521 ], [ 6.599731309820707, 3.824636322192663, 2.4899839906490477 ], [ 0.9711998290776758, 9.352875043486195, -0.8600420791833144 ], [ 6.77176082371496, 3.7006570431526375, -0.7708548405024148 ], [ 6.77176853758231, -1.9782139507106429, 3.9848491589406296 ], [ 6.712579232426301, 3.6389073120559448, -4.07732702027739 ], [ 7.718819674076705, 1.0337236662895815, -0.86333257327914 ], [ 7.657081357503386, 1.0928938430630473, 2.4431525267793526 ], [ 3.6740133155608015, 4.707669186578308, 7.288037336901548 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "La", "La", "La", "La", "La", "La", "La", "La", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "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" ]
2014-02-22 10:14:39
[ 0.1111111111111111, 0.3333333333333333, 0.1111111111111111, 0.4444444444444444 ]
[]
-411.005229
[ 0.001, 0.001, 0.001, 0.001, 0, 0.005, 0.001, 0.001, 0, 0.005, 0.001, 0.001, 0.005, 0.005, 0, 0, 0.005, 0.005, 0, 0, 0, 0.005, 0, 0.005, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 1.717, 1.717, 1.717, 1.717, 1.717, 1.717, 1.717, 1.717, 0.056, 0.056, 0.067, 0.039, 0.039, 0.036, 0.056, 0.039, 0.039, 0.056, 0.036, 0.036, 0.067, 0.067, 0.067, 0.036, 0.056, 0.039, 0.039, 0.056, 0.067, 0.036, 0.036, 0.039, 0.039, 0.036, 0.067, 0.067, 0.056, 0.056, 0.067, 0.036 ]
[]
15.376
4.165819
pbe
true
456c2b1e2a843b55fde583b5c9b39b44_88_Li24La8Ni8O32
[ "Cl", "Zr" ]
4
A3B
Cl3Zr
Zr1 Cl3
2
[ 1, 1, 1 ]
3
[ [ 4.93624922, 0.04312556, 0 ], [ -1.80719402, 4.59374204, 0 ], [ 0, 0, 3.53154488 ] ]
agm003887925
[ [ 0, 0, 0 ], [ -0.90359701, 2.29687102, 1.76577244 ], [ 2.46812461, 0.02156278, 1.76577244 ], [ 1.5645276, 2.3184338, 0 ] ]
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}]
[ "Zr", "Cl", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.75, 0.25 ]
[ [ -0.33907023, -0.06805012, 0 ], [ -0.06805012, -0.39399034, 0 ], [ 0, 0, -0.4274626 ] ]
-16.469082
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000157
1.674064
pbe
true
f3d8c8e4356ae0ccce0fd465282aeb75_65_Zr1Cl3
[ "Co", "Er" ]
4
A3B
CoEr3
Er3 Co1
2
[ 1, 1, 1 ]
3
[ [ 3.52145624, 0, 0 ], [ 0, 3.33150256, 0 ], [ 0, 0, 8.89574039 ] ]
agm001829237
[ [ 0, 0, 8.72816928225328 ], [ 0, 1.66575128, 4.169161044264854 ], [ 1.76072812, 1.66575128, 1.1006907744872125 ], [ 1.76072812, 0, 6.7587034214571196 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}]
[ "Co", "Er", "Er", "Er" ]
2023-11-16 06:57:59
[ 0.25, 0.75 ]
[ [ 0.6276529, 0, 0 ], [ 0, 0.5295555, 0 ], [ 0, 0, 0.65714 ] ]
-20.288509
[ 0, 0, 0, 0 ]
[ [ 0, 0, -0.00022824 ], [ 0, 0, 0.00362728 ], [ 0, 0, -0.00228409 ], [ 0, 0, -0.00111495 ] ]
-0.000426
5.503901
pbe
true
77d99725b1b0812a5428f98d97c3459e_25_Er3Co1
[ "La", "Li", "O", "Pu" ]
20
A12B4C3D
LaLi4O12Pu3
Li4 La1 Pu3 O12
4
[ 1, 1, 1 ]
3
[ [ 6.94133625, -0.15578325, -0.21642547 ], [ -1.82366246, 6.69930388, -0.21642547 ], [ -1.82366246, -2.33175725, 6.28414041 ] ]
agm004708058
[ [ 5.457038675203473, -0.8739371459483498, 2.925644735 ], [ -2.1630273452034734, 1.1600135793879802, 5.751357710809712 ], [ 1.647005665, 6.031568636560371, 0.09993175919028761 ], [ 1.6470056649999998, 2.1058816900000004, 2.925644735 ], [ 0, 0, 0 ], [ 3.0717901256554456, 2.870580667848852, -0.21642547 ], [ 2.0458836643445544, -1.3711145805643399, 3.4142895019443107 ], [ -1.82366246, 2.7122972927154883, 2.6534254380556894 ], [ 1.6470056650000002, 0.6102929921875726, 4.002170817546083 ], [ 5.115493934620762, 2.96695886111116, 0.35323859477400077 ], [ -1.8214826046207615, 4.818579099813224, 2.925644735 ], [ 1.647005665, -1.467892890924384, 5.498050875225999 ], [ 0.13682731264622025, 5.888461191214521, 1.2178778058173176 ], [ -0.726174898590315, -0.03929743034509227, 5.970514977079762 ], [ 5.682014702776107, 0.6623830191482516, 1.8579238473904116 ], [ 3.15718401735378, 4.92601303191925, -0.11922550707976176 ], [ -2.388003372776108, 2.6601816304388928, 4.633411664182683 ], [ 4.0201862285903145, -1.4624513023758203, 3.9933656226095886 ], [ 3.098533101069576, 2.4662338207505203, 1.8491186524539176 ], [ 0.195478228930424, 3.2411182570619075, 2.925644735 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "Li", "Li", "Li", "Li", "La", "Pu", "Pu", "Pu", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.05, 0.2, 0.6, 0.15 ]
[ [ 0.6889531, 0.04387067, 0.06094835 ], [ 0.04387067, 0.7107355, 0.07792931 ], [ 0.06094835, 0.07792931, 0.762907 ] ]
-164.881824
[ -0.002, -0.002, -0.002, -0.003, -0.006, 2.831, 2.831, 2.831, -0.135, -0.135, -0.135, -0.135, -0.1, -0.1, -0.1, -0.1, -0.1, -0.1, -0.135, -0.135 ]
[ [ 0.00049213, -0.00038489, 0 ], [ -0.00049213, -0.00012217, 0.00036499 ], [ 0, 0.00050707, -0.00036499 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00311294, -0.00243462, 0 ], [ -0.00311294, -0.00077281, 0.00230871 ], [ 0, 0.00320743, -0.00230871 ], [ 0, -0.00264133, 0.00190123 ], [ -0.00100977, -0.00025068, 0.00074889 ], [ 0.00100977, -0.00078974, 0 ], [ 0, 0.00104042, -0.00074889 ], [ -0.0004125, -0.00119216, 0.00423432 ], [ 0.00436371, 0.0006583, 0.00021357 ], [ -0.00105765, 0.0042336, 0.00069204 ], [ 0.0004125, -0.00439376, -0.00021357 ], [ 0.00105765, 0.00068759, -0.00423432 ], [ -0.00436371, 0.00000643, -0.00069204 ], [ 0.00256351, 0.00063641, -0.00190123 ], [ -0.00256351, 0.00200492, 0 ] ]
7.000001
14.439555
pbe
true
31d353186e44459d5ef584d52bc2ac84_155_Li4La1Pu3O12
[ "Ge", "In", "Ru" ]
5
A3BC
Ge3InRu
In1 Ge3 Ru1
3
[ 1, 1, 1 ]
3
[ [ 5.13299241, 0, 0 ], [ 0, 5.13299241, 0 ], [ 0, 0, 5.13299241 ] ]
agm002483436
[ [ 2.566496205, 2.566496205, 2.566496205 ], [ 0, 2.566496205, 0 ], [ 0, 0, 2.566496205 ], [ 2.566496205, 0, 0 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
[ "Ru", "Ge", "Ge", "Ge", "In" ]
2023-11-16 06:57:59
[ 0.6, 0.2, 0.2 ]
[ [ 2.4581447, 0, 0 ], [ 0, 2.4581447, 0 ], [ 0, 0, 2.4581447 ] ]
-18.016625
[ 2.175, -0.044, -0.039, -0.033, -0.005 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.11671
4.892248
pbe
true
e87ba81e69925f294b385470fef32b35_221_In1Ge3Ru1
[ "La", "Li", "O", "Sn" ]
77
A48B12C9D8
La12Li9O48Sn8
La12 Li9 O48 Sn8
4
[ 1, 1, 1 ]
3
[ [ -6.62745392, 6.62745391, -6.44333102 ], [ 6.62745392, -6.62745391, -6.44333102 ], [ -6.62745391, -6.62745392, -6.44333102 ] ]
mp-1223174
[ [ -3.327611933611367, -4.986936324821892, -12.910341345931808 ], [ -9.927295825114093, -1.6405176664526468, -12.9103412814985 ], [ 1.6732093698218908, -6.641338893611367, -9.641317224068189 ], [ -1.6732092985473528, 0.013884912336827426, -9.641317288501499 ], [ 2.5000002068509275e-9, -3.3137269575, -11.275829285 ], [ -3.326979014279999, -1.6499943241007176, -6.458772784955981 ], [ 3.3269790192799986, -4.977459590899281, -6.45877265608936 ], [ -8.291186617173821, -0.013251998005459953, -9.649554829477328 ], [ -4.963721207826178, -6.61420192699454, -9.649554829477328 ], [ 2.4999997627617176e-9, -3.3137269575, -8.026809901820794 ], [ 7.499999732374363e-9, -9.9411808725, -11.27181496090792 ], [ -3.299960801604304, -8.311745777012234, -12.888534858594273 ], [ -3.327493103395696, -4.943162057987767, -6.4452038385942725 ], [ -1.6385541382387507, -6.565120790203976, -9.652647177333758 ], [ -4.988899766761249, -6.689787044796024, -16.095978197333757 ], [ -6.627453912499999, -3.3137269625000005, -11.27984360909208 ], [ -6.6274539175, 3.3137269524999997, -8.081517648179206 ], [ -3.3760600847960234, 1.6751728117612485, -6.455680372666242 ], [ -3.2513938302039755, -1.6751728167612483, -12.899011392666239 ], [ -4.998018817012233, -0.013766153395696534, -9.663123711405728 ], [ -1.6294350979877668, 0.01376614839569612, -3.2197926914057264 ], [ 3.245532248589006, -3.2630920804736827, -9.650626162126022 ], [ -3.2455322435890053, -3.3643618345263167, -9.650626290992644 ], [ -9.945062039565258, -3.3090128570331885, -16.10090251306579 ], [ -3.309845785434741, -3.3184410679668104, -16.10090251306579 ], [ -0.004714107966811736, -0.0038811695652584497, -6.450756056934207 ], [ -6.576819106748223, 0.06819477268553342, -6.457701323440665 ], [ 0.004714112966811346, -6.623572745434741, -6.450756056934207 ], [ -0.05063480825177758, -0.06819477768553284, -12.901032343440663 ], [ -0.33772603760887276, -0.7451954251260549, -8.368567143053863 ], [ 0.33772604260887196, -5.882258489873944, -8.368567143053863 ], [ 0.3142985243376146, -7.3693983083906796, -10.985783641201042 ], [ -6.9417524293376145, -5.8855095266093205, -17.42911466120104 ], [ -0.782288283924597, -8.470989641311574, -13.131662678804688 ], [ 0.8127945946563016, -1.8835872848036241, -6.150782206533083 ], [ -0.8127945896563022, -4.743866630196375, -6.150782206533083 ], [ -5.845165621075402, -4.783918193688426, -6.688331658804688 ], [ -1.9531019153077134, -6.89734836147178, -7.118341465319322 ], [ -1.9316244583751772, -6.339679528639882, -12.215985894591212 ], [ -4.674351989692286, -6.357559473528221, -13.56167248531932 ], [ -11.323283366624823, -0.2877743963601178, -12.215985894591212 ], [ -6.313207152217505, -5.858282818785137, -10.97901421319812 ], [ -6.941700739057035, -0.7691710399403235, -10.97901414876481 ], [ -6.941725062961023, 0.7526508413667656, -8.387678771625595 ], [ 0.31427114796102296, -0.7526508463667653, -1.9443477516255951 ], [ -5.891897394324365, 1.983187309387945, -6.113418489747687 ], [ -7.450011208199621, -4.737570752808107, -13.155596367445167 ], [ -5.804896616800379, -1.889883172191892, -13.155596367445167 ], [ -0.7355565206756349, -1.9831873143879446, -12.556749509747686 ], [ -4.664196680776286, 0.25994351824968565, -12.210536060781186 ], [ -4.649141888569645, -0.32646102688654155, -7.137063658964205 ], [ -1.9632573004982539, -0.2599434569751464, -5.767205105214495 ], [ 4.649141893569643, -6.300992888113458, -7.137063658964204 ], [ -3.6015013463601173, 1.382102491624822, -3.8923416554087877 ], [ -3.043832513528222, 1.3606250346922861, -8.989986084680677 ], [ -3.0259525686398834, -1.3821024966248214, -10.335672675408789 ], [ 3.043832518528221, -7.988078949692286, -8.989986084680677 ], [ -4.055671348390679, -3.6280254793376145, -11.565874928798955 ], [ -9.19923647660932, -2.999428445662385, -11.565874928798957 ], [ -4.058922385126056, 3.6514529926088723, -7.739760406946137 ], [ -2.568531529873945, -3.6514529976088723, -14.183091426946135 ], [ -5.197314244803626, 2.5009323603436977, -9.957545343466917 ], [ -5.157262681311574, -2.5314386710754033, -9.419995891195311 ], [ -8.097645143688425, -4.096015253924597, -9.419995891195311 ], [ -1.430139670196375, -2.500932365343698, -3.5142143234669168 ], [ -2.9872659281134593, -7.962868848569643, -15.414594911035794 ], [ -3.573670406975146, -7.977923574501745, -10.341122444785505 ], [ -3.6401879768865415, -5.292038986430357, -8.971263891035793 ], [ -9.681237484299393, 1.3504697157762857, -10.341122509218813 ], [ -2.5610761086332348, -2.9994558120389767, -7.720648778374404 ], [ 2.5610761136332347, -3.627998102961022, -7.720648778374404 ], [ -2.5445558487851367, -10.255427632782496, -11.572644356801877 ], [ -4.082898122489403, -2.999480135942965, -5.12931340123519 ], [ -1.4238437828081087, -9.11862357680038, -9.39606220255483 ], [ -1.3305396406120549, -4.0492834806756335, -9.994909060252313 ], [ 1.3305396456120544, -2.5781704343243654, -9.994909060252313 ], [ -5.203610122191892, -4.136284258199621, -15.83939322255483 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "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" ]
2019-01-12 23:36:20
[ 0.15584415584415584, 0.11688311688311688, 0.6233766233766234, 0.1038961038961039 ]
[ [ -0.32736112, 4e-8, 0 ], [ -4e-8, -0.32736112, 0 ], [ 0, 0, -2.07971328 ] ]
-499.604057
[ 0.011, 0.011, 0.012, 0.01, 0.005, 0.007, 0.008, 0.008, 0.007, -0.006, -0.019, -0.003, -0.004, -0.003, 0.001, -0.018, -0.007, -0.004, -0.001, -0.007, -0.003, -0.028, -0.028, -0.029, -0.03, -0.031, -0.026, -0.029, -0.027, 0.228, 0.24, 0.323, 0.325, 0.534, 0.462, 0.489, 0.53, 0.307, 0.363, 0.312, 0.354, 0.242, 0.264, 0.237, 0.236, 0.197, 0.508, 0.508, 0.192, 0.343, 0.209, 0.321, 0.218, 0.367, 0.291, 0.364, 0.302, 0.321, 0.312, 0.217, 0.235, 0.48, 0.546, 0.536, 0.471, 0.22, 0.331, 0.215, 0.342, 0.226, 0.235, 0.282, 0.263, 0.506, 0.201, 0.199, 0.499 ]
[ [ -0.01083052, -0.02587784, -0.03141458 ], [ 0.01083052, 0.02587784, -0.03141458 ], [ 0.02587784, -0.01083052, 0.03141458 ], [ -0.02587784, 0.01083052, 0.03141458 ], [ 0, 0, 0 ], [ -0.02670289, 0.01499656, -0.01851813 ], [ 0.02670289, -0.01499656, -0.01851813 ], [ -0.01499656, -0.02670289, 0.01851813 ], [ 0.01499656, 0.02670289, 0.01851813 ], [ 0, 0, -0.04919663 ], [ 0, 0, -0.01469822 ], [ 0.00900728, -0.04719197, -0.03546704 ], [ -0.00900728, 0.04719197, -0.03546704 ], [ -0.00460094, 0.01230504, 0.01095779 ], [ 0.00460094, -0.01230504, 0.01095779 ], [ 0, 0, 0.01469822 ], [ 0, 0, 0.04919663 ], [ -0.01230504, -0.00460094, -0.01095779 ], [ 0.01230504, 0.00460094, -0.01095779 ], [ -0.04719197, -0.00900728, 0.03546704 ], [ 0.04719197, 0.00900728, 0.03546704 ], [ 0.01333601, -0.0031877, 0.05054361 ], [ -0.01333601, 0.0031877, 0.05054361 ], [ 0.01694313, 0.04555109, -0.05811827 ], [ -0.01694313, -0.04555109, -0.05811827 ], [ -0.04555109, 0.01694313, 0.05811827 ], [ -0.0031877, -0.01333601, -0.05054361 ], [ 0.04555109, -0.01694313, 0.05811827 ], [ 0.0031877, 0.01333601, -0.05054361 ], [ -0.00758665, 0.0716776, -0.04207428 ], [ 0.00758665, -0.0716776, -0.04207428 ], [ 0.03524122, 0.07359536, 0.04321933 ], [ -0.03524122, -0.07359536, 0.04321933 ], [ 0.01902162, 0.06583298, 0.13171674 ], [ 0.03280686, 0.01317523, -0.00657885 ], [ -0.03280686, -0.01317523, -0.00657885 ], [ -0.01902162, -0.06583298, 0.13171674 ], [ 0.0188528, -0.0349159, 0.00095202 ], [ 0.01190202, 0.05467726, -0.01173251 ], [ -0.0188528, 0.0349159, 0.00095202 ], [ -0.01190202, -0.05467726, -0.01173251 ], [ -0.01174851, -0.02577229, 0.00296083 ], [ 0.01174851, 0.02577229, 0.00296083 ], [ 0.05666918, -0.01006192, -0.00794038 ], [ -0.05666918, 0.01006192, -0.00794038 ], [ -0.03023115, 0.1036305, -0.03159625 ], [ -0.08287054, 0.03086333, 0.03761651 ], [ 0.08287054, -0.03086333, 0.03761651 ], [ 0.03023115, -0.1036305, -0.03159625 ], [ -0.00791366, 0.02670177, -0.00564896 ], [ -0.00771919, 0.04451708, 0.02500971 ], [ 0.00791366, -0.02670177, -0.00564896 ], [ 0.00771919, -0.04451708, 0.02500971 ], [ -0.05467726, 0.01190202, 0.01173251 ], [ 0.0349159, 0.0188528, -0.00095202 ], [ 0.05467726, -0.01190202, 0.01173251 ], [ -0.0349159, -0.0188528, -0.00095202 ], [ 0.07359536, -0.03524122, -0.04321933 ], [ -0.07359536, 0.03524122, -0.04321933 ], [ 0.0716776, 0.00758665, 0.04207428 ], [ -0.0716776, -0.00758665, 0.04207428 ], [ 0.01317523, -0.03280686, 0.00657885 ], [ 0.06583298, -0.01902162, -0.13171674 ], [ -0.06583298, 0.01902162, -0.13171674 ], [ -0.01317523, 0.03280686, 0.00657885 ], [ -0.04451708, -0.00771919, -0.02500971 ], [ -0.02670177, -0.00791366, 0.00564896 ], [ 0.04451708, 0.00771919, -0.02500971 ], [ 0.02670177, 0.00791366, 0.00564896 ], [ -0.01006192, -0.05666918, 0.00794038 ], [ 0.01006192, 0.05666918, 0.00794038 ], [ -0.02577229, 0.01174851, -0.00296083 ], [ 0.02577229, -0.01174851, -0.00296083 ], [ 0.03086333, 0.08287054, -0.03761651 ], [ 0.1036305, 0.03023115, 0.03159625 ], [ -0.1036305, -0.03023115, 0.03159625 ], [ -0.03086333, -0.08287054, -0.03761651 ] ]
15.68
2.975349
pbe
true
1b1a034be07f447f7efb8d1679f305f7_82_Li9La12Sn8O48
[ "La", "Li", "O", "Sr" ]
69
A12B5C3D3
La5Li3O12Sr3
La15 Li9 O36 Sr9
4
[ 1, 1, 1 ]
3
[ [ 13.52638752, 0.01155326, 0 ], [ -0.00088037, 6.89585145, 0 ], [ 0, 0, 10.78300566 ] ]
mp-761869
[ [ 2.9580679998267825, 6.310585774894217, 9.88442544933522 ], [ 2.937464014889297, 6.305665501381899, 2.696871553627961 ], [ 2.937464014889297, 6.305665501381899, 6.288973685042479 ], [ 3.7931849401339006, 2.845063999986076, 9.88442544933522 ], [ 3.7804951263665183, 2.8495521531603467, 6.292427913075604 ], [ 3.7804951263665183, 2.8495521531603467, 2.6934173255948366 ], [ 9.716390160723712, 4.13962112329773, 0.8372997425186605 ], [ 9.814588939230402, 4.055646214240918, 4.4929226193352205 ], [ 9.716390160723712, 4.13962112329773, 8.14853471314612 ], [ 1.8476797435761119, 4.304543588029679, 0.8835662770739658 ], [ 1.8311068859174815, 4.298619963192674, 4.4929226193352205 ], [ 1.8476797435761119, 4.304543588029679, 8.102268178590815 ], [ 4.920735316626931, 0.8474330525759245, 0.9130646986776882 ], [ 4.910185083441443, 0.860582361710431, 4.4929226193352205 ], [ 4.920735316626931, 0.8474330525759245, 8.072769756987093 ], [ 8.545559554910145, 6.063971430336098, 2.748415183323214 ], [ 8.545559554910145, 6.063971430336098, 6.237419272341566 ], [ 11.76032089926706, 2.6550197463338607, 9.88442544933522 ], [ 0.5317499389852727, 1.6920843057386252, 0.9265205957806891 ], [ 0.4871935649702364, 1.665932415167782, 4.4929226193352205 ], [ 0.5317499389852727, 1.6920843057386252, 8.059313859884092 ], [ 6.228592563620556, 5.102198566114303, 0.86973027902145 ], [ 6.165604485357056, 5.131967878906884, 4.4929226193352205 ], [ 6.228592563620556, 5.102198566114303, 8.116114959648991 ], [ 7.286673714702152, 1.7684567790529122, 2.702527779246914 ], [ 7.286673714702152, 1.7684567790529122, 6.283317459423527 ], [ 7.32061912037548, 1.6435472052732654, 9.88442544933522 ], [ 10.531089202523946, 0.6588713139473432, 0.9478638302037534 ], [ 10.61877397977326, 0.7407621842968575, 4.4929226193352205 ], [ 10.531089202523946, 0.6588713139473432, 8.037970625461027 ], [ 12.954317585368853, 5.053661527006399, 2.6895186220684066 ], [ 12.954317585368853, 5.053661527006399, 6.296315833596373 ], [ 13.009271394479722, 5.211424327780815, 9.88442544933522 ], [ 0.8847041952971302, 5.986992124494991, 8.08266068458884 ], [ 0.8847041952971302, 5.986992124494991, 0.9031737710759401 ], [ 0.8465331027441281, 5.946954821010289, 4.4929226193352205 ], [ 1.2950790010592432, 3.357373492598559, 2.675062169870215 ], [ 1.2950790010592432, 3.357373492598559, 6.310783068800226 ], [ 1.3333121441165225, 3.3553094647167074, 9.88442544933522 ], [ 2.984883545584642, 1.2586865991277345, 0.9042892730114671 ], [ 2.984883545584642, 1.2586865991277345, 8.081555965658973 ], [ 2.9588284433425796, 1.2652841559858443, 4.4929226193352205 ], [ 3.806782644564743, 4.711672678467541, 0.8945420828751667 ], [ 3.806782644564743, 4.711672678467541, 8.091303155795273 ], [ 3.7737117037031047, 4.706389861247054, 4.4929226193352205 ], [ 5.472041989774445, 6.826207976362939, 6.268274196057317 ], [ 5.472041989774445, 6.826207976362939, 2.7175602596074637 ], [ 5.499487339529378, 6.831223877268978, 9.88442544933522 ], [ 5.908945621983616, 2.5125540084198024, 0.901886064540023 ], [ 5.873416951059849, 2.560130557250353, 4.4929226193352205 ], [ 5.908945621983616, 2.5125540084198024, 8.083959174130417 ], [ 7.628185719691288, 4.363977969787061, 2.685393044102891 ], [ 7.628185719691288, 4.363977969787061, 6.300441411561889 ], [ 7.572221475702343, 4.199964801997336, 9.88442544933522 ], [ 8.154573104323767, 0.1748659444047966, 1.0452850514401555 ], [ 8.179044050260362, 0.0767247344113511, 4.4929226193352205 ], [ 8.154573104323767, 0.1748659444047966, 7.940549404224624 ], [ 9.817059596353149, 2.1321508942888285, 9.88442544933522 ], [ 9.699120779075166, 2.0945365856021643, 2.726372994473268 ], [ 9.699120779075166, 2.0945365856021643, 6.2594722441971715 ], [ 10.467299625696953, 5.764157490341239, 2.68786936135271 ], [ 10.467299625696953, 5.764157490341239, 6.297965094312071 ], [ 10.609864613092846, 5.794149125544578, 9.88442544933522 ], [ 12.214478055284584, 3.575821941885511, 8.232213640649192 ], [ 12.214478055284584, 3.575821941885511, 0.7536208150155888 ], [ 12.274589295187727, 3.658720466655881, 4.4929226193352205 ], [ 12.621851593239072, 0.8023656131664122, 2.7111790925179884 ], [ 12.621851593239072, 0.8023656131664122, 6.274666146152453 ], [ 12.631885891159666, 0.949505948197401, 9.88442544933522 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "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" ]
2014-02-12 11:45:44
[ 0.21739130434782608, 0.13043478260869565, 0.5217391304347826, 0.13043478260869565 ]
[]
-485.714422
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
4.460926
pbe
true
97fc85f1e40d233945fa5d3685b24fcc_6_Sr9Li9La15O36
[ "Be", "Br", "Tc" ]
3
ABC
BeBrTc
Be1 Tc1 Br1
3
[ 1, 1, 1 ]
3
[ [ 4.99031856, 0.00514928, -0.00010725 ], [ 2.98666056, 3.99710392, 0.00081508 ], [ -3.9881362, -2.00143746, 2.23293517 ] ]
agm004058193
[ [ -3.7096444913062574, -1.8615741643079258, 2.232837549939546 ], [ 5.021265706123224, 2.5190849712747623, 0.0006346704463242001 ], [ -1.3109144948169675, -0.6581325269668362, 2.2331059496141306 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
[ "Be", "Tc", "Br" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 0.7334776, -0.09294994, 0.0554644 ], [ -0.09294976, 0.7277581, 0.01839267 ], [ 0.05546424, 0.01839259, 0.8034231 ] ]
-13.861462
[ 0, 0.004, 0 ]
[ [ -0.00591594, -0.00280363, -0.00014753 ], [ 0.0019898, -0.00056975, 0.00140113 ], [ 0.00392614, 0.00337338, -0.00125359 ] ]
0.003995
3.037842
pbe
true
46de1cf85d04185217103675bf4f8827_107_Be1Tc1Br1
[ "Hg", "Pd", "Ti" ]
4
A2BC
HgPd2Ti
Ti1 Hg1 Pd2
3
[ 1, 1, 1 ]
3
[ [ 3.15210458, 0, 0 ], [ 0, 3.15210458, 0 ], [ 0, 0, 6.91612807 ] ]
agm001116361
[ [ 1.57605229, 1.57605229, 3.458064035 ], [ 0, 0, 5.426461861777086 ], [ 0, 0, 1.489666208222914 ], [ 1.57605229, 1.57605229, 0 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Hg", "Pd", "Pd", "Ti" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 6.7941103, 0, 0 ], [ 0, 6.7941103, 0 ], [ 0, 0, 6.9999623 ] ]
-20.211513
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, -0.00233689 ], [ 0, 0, 0.00233689 ], [ 0, 0, 0 ] ]
0
2.820667
pbe
true
7267f7d96cd6bb7aa79ccff5c636e5f2_123_Ti1Hg1Pd2
[ "Be", "C", "Pa" ]
12
ABC
BeCPa
Pa4 Be4 C4
3
[ 1, 1, 1 ]
3
[ [ 3.87341968, 0, 0 ], [ 0, 5.9376021, 0 ], [ 0, 0, 7.04457921 ] ]
agm003603553
[ [ 0.96835492, 2.097091888655535, 1.1125822361333293 ], [ 2.90506476, 3.840510211344465, 5.931996973866672 ], [ 2.90506476, 0.871709161344465, 4.634871841133329 ], [ 0.96835492, 5.065892938655535, 2.4097073688666706 ], [ 0.96835492, 2.9817393818560047, 4.164593767196507 ], [ 2.90506476, 2.955862718143995, 2.879985442803493 ], [ 2.90506476, 5.924663768143995, 0.6423041621965068 ], [ 0.96835492, 0.012938331856005, 6.402275047803493 ], [ 0.96835492, 4.9454343110599535, 4.8881019210793575 ], [ 2.90506476, 0.992167788940047, 2.1564772889206427 ], [ 2.90506476, 3.9609688389400475, 1.3658123160793572 ], [ 0.96835492, 1.976633261059953, 5.678766893920643 ] ]
[{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "Pa", "Pa", "Pa", "Pa", "Be", "Be", "Be", "Be", "C", "C", "C", "C" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ -0.0858812, 0, 0 ], [ 0, 0.09977371, 0 ], [ 0, 0, 0.29099354 ] ]
-92.114174
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00237415, 0.00104156 ], [ 0, -0.00237415, -0.00104156 ], [ 0, -0.00237415, 0.00104156 ], [ 0, 0.00237415, -0.00104156 ], [ 0, 0.00031997, -0.00357024 ], [ 0, -0.00031997, 0.00357024 ], [ 0, -0.00031997, -0.00357024 ], [ 0, 0.00031997, 0.00357024 ], [ 0, -0.0009121, 0.00172418 ], [ 0, 0.0009121, -0.00172418 ], [ 0, 0.0009121, 0.00172418 ], [ 0, -0.0009121, -0.00172418 ] ]
-0.000014
6.90801
pbe
true
33cd53376ad3f75fee05fda68ec058c5_62_Pa4Be4C4
[ "Co", "Mn" ]
4
AB
CoMn
Mn2 Co2
2
[ 1, 1, 1 ]
3
[ [ 2.41625095, 0, -0.00357695 ], [ 0, 3.81629447, 0 ], [ -1.20318488, 0, 4.57443814 ] ]
agm002288340
[ [ 1.2106779753054433, 0.9540736175, 3.0180243443425057 ], [ 0.0023880946945565563, 2.8622208525, 1.5528368456574941 ], [ 1.2094260866019801, 0.9540736175, 0.6492023578611363 ], [ 0.003639983398019705, 2.8622208525, 3.921658832138863 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}]
[ "Mn", "Mn", "Co", "Co" ]
2023-11-16 06:57:59
[ 0.5, 0.5 ]
[ [ 5.0149035, 0, -0.03056645 ], [ 0, 9.118982, 0 ], [ -0.03056681, 0, 3.6272566 ] ]
-32.107715
[ -0.001, 0.001, -0.001, 0.001 ]
[ [ 0.00266979, 0, 0.0271287 ], [ -0.00266979, 0, -0.0271287 ], [ 0.00008391, 0, -0.02423593 ], [ -0.00008391, 0, 0.02423593 ] ]
0.000002
3.931496
pbe
true
a071ce533448069797e0aa57200f3fe6_63_Mn2Co2
[ "Co", "Mn" ]
4
AB
CoMn
Mn2 Co2
2
[ 1, 1, 1 ]
3
[ [ 2.44495704, 0, 0 ], [ 0, 2.44495704, 0 ], [ 0, 0, 7.10362751 ] ]
agm003163687
[ [ 0.61123926, 0.61123926, 4.49346003332061 ], [ 1.8337177799999997, 1.8337177799999997, 2.61016747667939 ], [ 0.61123926, 0.61123926, 0.9046667825192528 ], [ 1.8337177799999997, 1.8337177799999997, 6.198960727480747 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}]
[ "Mn", "Mn", "Co", "Co" ]
2023-11-16 06:57:59
[ 0.5, 0.5 ]
[ [ 5.2984014, 0, 0 ], [ 0, 5.2984014, 0 ], [ 0, 0, 5.026995 ] ]
-32.204015
[ 0.807, 0.807, -0.543, -0.543 ]
[ [ 0, 0, -0.00379253 ], [ 0, 0, 0.00379253 ], [ 0, 0, -0.00530356 ], [ 0, 0, 0.00530356 ] ]
0.577447
5.835861
pbe
true
650e47ff1fde5282cd6b0673d77ab36f_129_Mn2Co2
[ "Hg", "Sr", "Tl" ]
11
A6B3C2
Hg6Sr2Tl3
Sr2 Tl3 Hg6
3
[ 1, 1, 1 ]
3
[ [ 4.13085977, 0, 0 ], [ 0, 9.30467767, 1.32208753 ], [ 0, 2.33544008, 9.10336136 ] ]
agm005609271
[ [ 0, 4.379638424775212, 6.820931731361325 ], [ 0, 7.260479325224788, 3.604517158638674 ], [ 0, 2.723471160266495, 2.4392576400160055 ], [ 0, 8.916646589733505, 7.986191249983993 ], [ 2.065429885, 0, 0 ], [ 2.065429885, 4.557709748214985, 4.082096885942853 ], [ 2.065429885, 7.082408001785016, 6.343352004057146 ], [ 2.065429885, 9.703469957680987, 4.60402390282265 ], [ 2.065429885, 1.9366477923190124, 5.821424987177349 ], [ 2.065429885, 5.64129229761443, 9.139468630954301 ], [ 2.065429885, 5.99882545238557, 1.285980259045698 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Sr", "Tl", "Tl", "Tl", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg" ]
2023-11-16 06:57:59
[ 0.5454545454545454, 0.18181818181818182, 0.2727272727272727 ]
[ [ 2.758667, 0, 0 ], [ 0, 4.0724688, -0.20240608 ], [ 0, -0.20240608, 4.1172004 ] ]
-14.776162
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.02506531, 0.02798585 ], [ 0, 0.02506531, -0.02798585 ], [ 0, -0.01492605, -0.01336849 ], [ 0, 0.01492605, 0.01336849 ], [ 0, 0, 0 ], [ 0, -0.01794592, -0.01607323 ], [ 0, 0.01794592, 0.01607323 ], [ 0, -0.00328644, 0.00174819 ], [ 0, 0.00328644, -0.00174819 ], [ 0, 0.00137688, -0.00345849 ], [ 0, -0.00137688, 0.00345849 ] ]
0
7.39119
pbe
true
672d77feaeeb5e7711f39d4a27db32f4_65_Sr2Tl3Hg6
[ "Cd", "Fe", "Hg" ]
4
A2BC
CdFe2Hg
Cd1 Fe2 Hg1
3
[ 1, 1, 1 ]
3
[ [ 6.41193667, 0.01348147, 0.04298491 ], [ -2.55651241, 4.21608279, -0.0108697 ], [ 1.29890496, 0.76243338, 2.43096603 ] ]
agm004183381
[ [ 1.9277121300000002, 2.11478213, 0.016057605000000003 ], [ 0, 0, 0 ], [ 3.855420815, 0.387957425, 1.23697547 ], [ -0.6288037249999999, 2.489258085, 1.210048165 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}]
[ "Cd", "Fe", "Fe", "Hg" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 8.183488, 0.0428578, 0.13662675 ], [ 0.04285458, 7.9429297, 0.1895045 ], [ 0.13661651, 0.1895045, 8.48773 ] ]
-16.448176
[ -0.067, 2.674, 2.674, -0.068 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
5.128047
3.259195
pbe
true
4949143c7ea7c49568622b3aaaf6a597_65_Cd1Fe2Hg1
[ "Co", "Re" ]
4
A3B
CoRe3
Co1 Re3
2
[ 1, 1, 1 ]
3
[ [ -1.910660994, 1.910660994, 3.767597904 ], [ 1.910660994, -1.910660994, 3.767597904 ], [ 1.910660994, 1.910660994, -3.767597904 ] ]
oqmd-8175722
[ [ 0, 0, 0 ], [ -4.1274515873904225e-17, 4.1274515873904225e-17, 3.7676 ], [ -5.849902830956026e-17, 1.91066, 1.8838 ], [ 1.91066, 5.252327415295538e-17, 1.8838 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}]
[ "Co", "Re", "Re", "Re" ]
2024-11-01 00:00:00
[ 0.25, 0.75 ]
[ [ 15.92867915, 0, 0 ], [ 0, 15.92867915, 0 ], [ 0, 0, 10.00910935 ] ]
-44.2586
[ 0.025, 0.004, -0.002, -0.002 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.024355
null
pbe
true
fd9b6f9e5910c6b85099fc69d8ec43b6_139_Co1Re3
[ "Ho", "Pu", "Te" ]
4
A2BC
Ho2PuTe
Ho2 Pu1 Te1
3
[ 1, 1, 1 ]
3
[ [ 4.62923281, 0, 0 ], [ 0, 4.79954587, 0 ], [ 0, 0, 4.79954587 ] ]
agm001227909
[ [ 2.314616405, 0, 0 ], [ 0, 0, 2.399772935 ], [ 0, 2.399772935, 0 ], [ 2.314616405, 2.399772935, 2.399772935 ] ]
[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "Te", "Ho", "Ho", "Pu" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 1.7887751, 0, 0 ], [ 0, 1.79315, 0 ], [ 0, 0, 1.79315 ] ]
-28.126351
[ -0.035, 0.233, 0.233, 5.593 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
6.42692
9.741275
pbe
true
a27ebfaecac20c6a45380b9aa555ab8c_123_Ho2Pu1Te1
[ "Co", "Ta" ]
4
A3B
Co3Ta
Co3 Ta1
2
[ 1, 1, 1 ]
3
[ [ -1.813, 1.813, 3.700782 ], [ 1.813, -1.813, 3.700782 ], [ 1.813, 1.813, -3.700782 ] ]
oqmd-1990804
[ [ -3.9468413645579474e-17, 3.9468413645579474e-17, 3.700780000000002 ], [ 1.1102230246251563e-16, 1.8129999999999995, 1.850390000000001 ], [ 1.8129999999999995, 1.1102230246251563e-16, 1.850390000000001 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}]
[ "Co", "Co", "Co", "Ta" ]
2024-11-01 00:00:00
[ 0.75, 0.25 ]
[ [ 0.88749, 0, 0 ], [ 0, 0.88749, 0 ], [ 0, 0, 0.4412 ] ]
-33.7937
[ 0.93, 0.823, 0.823, -0.239 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-2.25287
null
pbe
true
3c5b650224fd2f8ed483cbf951c26828_139_Ta1Co3
[ "La", "Li", "Pr", "Sb" ]
11
A4B3C2D2
La2Li2Pr3Sb4
Li2 La2 Pr3 Sb4
4
[ 1, 1, 1 ]
3
[ [ 4.58595258, 0, 0 ], [ -2.29297629, 3.97155144, 0 ], [ 0, 0, 18.5442607 ] ]
agm004488705
[ [ 2.292976312929763, 1.323850466761495, 16.36238304164111 ], [ -2.292976306391492e-8, 2.647700973238505, 2.181877658358888 ], [ 2.292976312929763, 1.323850466761495, 7.713192980616368 ], [ -2.292976306391492e-8, 2.647700973238505, 10.83106771938363 ], [ 0, 0, 14.372321096356993 ], [ 0, 0, 0 ], [ 0, 0, 4.171939603643007 ], [ 2.292976312929763, 1.323850466761495, 2.029433450618896 ], [ -2.292976306391492e-8, 2.647700973238505, 16.514827249381103 ], [ 2.292976312929763, 1.323850466761495, 12.610399362006802 ], [ -2.292976306391492e-8, 2.647700973238505, 5.933861337993196 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
[ "Li", "Li", "La", "La", "Pr", "Pr", "Pr", "Sb", "Sb", "Sb", "Sb" ]
2023-11-16 06:57:59
[ 0.18181818181818182, 0.18181818181818182, 0.2727272727272727, 0.36363636363636365 ]
[ [ 0.11325979, 0, 0 ], [ 0, 0.11325979, 0 ], [ 0, 0, 0.12902807 ] ]
-54.257228
[ 0.005, 0.005, 0.119, 0.119, 0.013, 0.022, 0.013, -0.002, -0.002, -0.004, -0.004 ]
[ [ 0, 0, 0.00284016 ], [ 0, 0, -0.00284016 ], [ 0, 0, -0.00026788 ], [ 0, 0, 0.00026788 ], [ 0, 0, 0.00650548 ], [ 0, 0, 0 ], [ 0, 0, -0.00650548 ], [ 0, 0, 0.00155296 ], [ 0, 0, -0.00155296 ], [ 0, 0, -0.00223051 ], [ 0, 0, 0.00223051 ] ]
0.914036
10.467984
pbe
true
1fd9e64d4001ee232ff525cb3f639c03_164_Li2La2Pr3Sb4
[ "La", "Li", "Pt", "Sn" ]
5
A2BCD
LaLiPt2Sn
Li1 La1 Sn1 Pt2
4
[ 1, 1, 1 ]
3
[ [ 4.08480455, 0, 0 ], [ 0, 4.08480455, 0 ], [ -2.04240228, -2.04240227, 6.32371773 ] ]
agm005017877
[ [ 2.0424022725, 2.4999999848063226e-9, 3.161858865 ], [ 0, 0, 0 ], [ -2.4999999848063226e-9, 2.0424022775, 3.161858865 ], [ 2.042402273934693, 2.042402276065307, 1.3473401527586222 ], [ -3.93469292658957e-9, 3.9346930255844655e-9, 4.9763775772413785 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Li", "La", "Sn", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 3.7875102, 0, 0 ], [ 0, 3.7875102, 0 ], [ 0, 0, 3.9251916 ] ]
-27.555774
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00063086 ], [ 0, 0, -0.00063086 ] ]
-0.000052
2.553037
pbe
true
e218a2ccd3e513671a5d9fefc22740e5_119_Li1La1Sn1Pt2
[ "Co", "Zn" ]
4
AB
CoZn
Co1 Zn1
2
[ 1, 1, 1 ]
3
[ [ 2.042483, -3.537682, 0 ], [ 2.042483, 3.537682, 0 ], [ 0, 0, 4.745522 ] ]
oqmd-4136153
[ [ 2.042480000000001, 1.179240000000001, 2.0763499999999993 ], [ 0, 0, 4.449109999999999 ], [ 0, 0, 2.0759799999999986 ], [ 2.042480000000001, 1.179240000000001, 4.448739999999998 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Co", "Co", "Zn", "Zn" ]
2024-11-01 00:00:00
[ 0.5, 0.5 ]
[ [ 18.71147, 0.00158, 0.00001 ], [ 0.00158, 18.86629, -0.00002 ], [ 0.00001, -0.00002, 9.09868 ] ]
-13.2554
[ 0, 0, 0, 0 ]
[ [ 0.000014, -0.00058, -0.00348 ], [ -0.000017, 0.000535, -0.003461 ], [ -0.000009, 0.000699, 0.003462 ], [ 0.000012, -0.000655, 0.00348 ] ]
2.53026
null
pbe
true
adf0a6d79b5cf354523dd09c3b4f5249_194_Zn2Co2
[ "Cr", "F" ]
2
AB
CrF
Cr1 F1
2
[ 1, 1, 1 ]
3
[ [ 4.70672707, 0.66718424, -0.1541955 ], [ 1.40587798, 2.78747156, -0.25497842 ], [ -3.88299521, 0.97747064, 2.84092943 ] ]
agm002016495
[ [ 2.412607280903588, 0.7565562940165635, 0.4358673326578995 ], [ 0.7617545649098126, 1.8164375842436766, 0.3855818151308205 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]
[ "Cr", "F" ]
2023-11-16 06:57:59
[ 0.5, 0.5 ]
[ [ 11.375802, 3.869087, -1.996289 ], [ 3.8690872, 4.1526136, -1.4739376 ], [ -1.9962895, -1.4739377, 5.50218 ] ]
-12.090757
[ 3.888, 0.021 ]
[ [ -0.0041281, 0.00157969, 0.00022807 ], [ 0.0041281, -0.00157969, -0.00022807 ] ]
4.278304
0.358651
pbe
true
e6798bcfa42fdd05406cd39f5e8b0650_2_Cr1F1
[ "Cr", "Fe" ]
4
A3B
Cr3Fe
Cr3 Fe1
2
[ 1, 1, 1 ]
3
[ [ 4.6620038, -0.26317611, 0 ], [ -1.80100425, 4.30812311, 0 ], [ 0, 0, 2.36158563 ] ]
agm004119423
[ [ 0, 0, 0 ], [ -0.900502125, 2.154061555, 1.180792815 ], [ 2.3310019, -0.131588055, 1.180792815 ], [ 1.430499775, 2.0224735000000003, 0 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}]
[ "Cr", "Cr", "Cr", "Fe" ]
2023-11-16 06:57:59
[ 0.75, 0.25 ]
[ [ 12.753388, 0.10765567, 0 ], [ 0.10765567, 12.829449, 0 ], [ 0, 0, 12.399209 ] ]
-36.378212
[ 0.058, 0.032, 0.032, 1.75 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.895257
4.700239
pbe
true
909243f33dd4b77506dad4a4d53f3d8b_65_Cr3Fe1
[ "Cr", "Sc" ]
4
A3B
Cr3Sc
Sc1 Cr3
2
[ 1, 1, 1 ]
3
[ [ 3.84462587, 0, 0 ], [ 0, 3.84462587, 0 ], [ 0, 0, 3.84462587 ] ]
agm002184317
[ [ 0, 0, 0 ], [ 1.922312935, 1.922312935, 0 ], [ 1.922312935, 0, 1.922312935 ], [ 0, 1.922312935, 1.922312935 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "Sc", "Cr", "Cr", "Cr" ]
2023-11-16 06:57:59
[ 0.75, 0.25 ]
[ [ 4.541389, 0, 0 ], [ 0, 4.541389, 0 ], [ 0, 0, 4.541389 ] ]
-32.542691
[ 0.08, 0.644, 0.442, 0.518 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.788322
6.101238
pbe
true
9c34e4e30ee68c02f62a30e98bb5417e_221_Sc1Cr3
[ "Ho", "Ru", "Sm" ]
4
A2BC
HoRu2Sm
Sm1 Ho1 Ru2
3
[ 1, 1, 1 ]
3
[ [ 3.4343468, 0, 0 ], [ 0, 4.83851885, 0 ], [ 0, 0, 4.83851885 ] ]
agm001221756
[ [ 0, 0, 2.419259425 ], [ 0, 2.419259425, 0 ], [ 1.7171734, 2.419259425, 2.419259425 ], [ 1.7171734, 0, 0 ] ]
[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Ru", "Ru", "Ho", "Sm" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 4.0108533, 0, 0 ], [ 0, 3.8261857, 0 ], [ 0, 0, 3.8261857 ] ]
-28.832447
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000005
4.093411
pbe
true
4d9af0688ab51326d8ad6297a055f45d_123_Sm1Ho1Ru2
[ "I", "In", "Sc" ]
4
A2BC
I2InSc
Sc1 In1 I2
3
[ 1, 1, 1 ]
3
[ [ 0, 3.92277999, 3.92277999 ], [ 3.92277999, 0, 3.92277999 ], [ 3.92277999, 3.92277999, 0 ] ]
agm002734239
[ [ 1.961389995, 1.961389995, 1.961389995 ], [ 5.884169985, 5.884169985, 5.884169985 ], [ 0, 0, 0 ], [ 3.92277999, 3.92277999, 3.92277999 ] ]
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "I", "I", "Sc", "In" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 2.2110622, 0, 0 ], [ 0, 2.2110622, 0 ], [ 0, 0, 2.2110622 ] ]
-13.233786
[ -0.006, -0.006, 0.931, 0.085 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.715309
2.339001
pbe
true
d684eca9f0d74edc577c37cd47f2c171_225_Sc1In1I2
[ "Cr", "Se" ]
4
AB
CrSe
Cr2 Se2
2
[ 1, 1, 1 ]
3
[ [ 16.78518493, 0, 0 ], [ -8.39259247, 14.53639656, 0 ], [ 0, 0, 3.64320816 ] ]
agm1000005788
[ [ 3.0476200593333047, 7.6462041897858954, 1.82076067731096 ], [ 4.647491820302649, 7.119736172201167, 0.0002354605433808 ], [ 3.9989275496849452, 5.493957380321441, 1.8219101459175215 ], [ 5.091145406753174, 8.812895523055461, 1.821909635868379 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]
[ "Cr", "Cr", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.5, 0.5 ]
[ [ -0.01834675, -0.00005851, -0.00109519 ], [ -0.0000585, -0.03835518, 0.00035228 ], [ -0.00109521, 0.0003523, 0.09945442 ] ]
-25.129986
[ 2.938, -2.966, -0.013, -0.013 ]
[ [ -0.01195399, 0.00386858, 0.00036583 ], [ 0.00177955, -0.00263199, -0.00021954 ], [ 0.00510594, -0.00033484, -0.00007423 ], [ 0.0050685, -0.00090175, -0.00007207 ] ]
-0.018424
0.672367
pbe
true
749850a87b58a60805ce6e59c2861657_6_Cr2Se2
[ "Be", "Ca", "Mg" ]
4
A2BC
BeCa2Mg
Ca2 Mg1 Be1
3
[ 1, 1, 1 ]
3
[ [ 4.57908533, 0, 0 ], [ 0, 4.17371527, -0.0120217 ], [ 0, 2.07834897, 5.88197772 ] ]
agm003780750
[ [ 2.289542665, 3.9123232489496407, 4.395349504922058 ], [ 0, 5.994001234672571, 5.407345466228603 ], [ 2.289542665, 1.8196619866942594, 1.8752842809489425 ], [ 0, 3.9041741506371905, 2.9969107389604024 ] ]
[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}]
[ "Be", "Ca", "Ca", "Mg" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 0.5569814, 0, 0 ], [ 0, 0.4392308, 0.00314491 ], [ 0, 0.00314468, 0.5485543 ] ]
-8.454259
[ 0, 0, 0, 0 ]
[ [ 0, -0.01359002, -0.00147229 ], [ 0, 0.00056561, -0.00193796 ], [ 0, 0.00074578, 0.0046988 ], [ 0, 0.01227863, -0.00128855 ] ]
0
3.269338
pbe
true
f83c53098f12a9e08632e344491ebb04_6_Ca2Mg1Be1
[ "I", "Rh", "Te" ]
4
A2BC
IRh2Te
Te1 Rh2 I1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.38286617, 3.38286617 ], [ 3.38286617, 0, 3.38286617 ], [ 3.38286617, 3.38286617, 0 ] ]
agm002727096
[ [ 3.38286617, 3.38286617, 3.38286617 ], [ 0, 0, 0 ], [ 1.691433085, 1.691433085, 1.691433085 ], [ 5.074299255, 5.074299255, 5.074299255 ] ]
[{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "I", "Te", "Rh", "Rh" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 5.276775, 0, 0 ], [ 0, 5.276775, 0 ], [ 0, 0, 5.276775 ] ]
-18.175618
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
3.860588
pbe
true
edb7e5df9d217d17771fb829c38ca677_225_Te1Rh2I1
[ "Lu", "Pt", "Zn" ]
4
A2BC
Lu2PtZn
Lu2 Zn1 Pt1
3
[ 1, 1, 1 ]
3
[ [ 4.88056997, 0, 0 ], [ 2.44028499, 4.22669758, 0 ], [ 2.44028499, 1.40889919, 3.9849687 ] ]
agm003162450
[ [ 0, 0, 0 ], [ 2.4402849875, 1.4088991924999998, 0.996242175 ], [ 7.3208549624999995, 4.2266975774999995, 2.988726525 ], [ 4.880569975, 2.8177983849999997, 1.99248435 ] ]
[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
[ "Zn", "Lu", "Lu", "Pt" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 2.30649, 0, 0 ], [ 0, 2.30649, 0 ], [ 0, 0, 2.30649 ] ]
-19.78672
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000211
1.958424
pbe
true
fdcfdbf88e90df4fd1577ad4dc85d7c2_225_Lu2Zn1Pt1
[ "Be", "Ca", "Ni" ]
4
A2BC
BeCa2Ni
Ca2 Be1 Ni1
3
[ 1, 1, 1 ]
3
[ [ 3.93877454, 0, 0 ], [ 0, 4.32841797, 0.00190389 ], [ 0, 2.16016641, 5.27745972 ] ]
agm003829780
[ [ 0, 4.057198107094351, 2.8535374450825577 ], [ 0, 6.21843490967606, 4.799799332564272 ], [ 1.96938727, 1.8923533035368192, 1.7930814141630818 ], [ 1.96938727, 4.053319802181983, 3.751990765087944 ] ]
[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}]
[ "Ni", "Ca", "Ca", "Be" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ -1.8579957, 0, 0 ], [ 0, -2.1011372, 0.0033322 ], [ 0, 0.00333178, -1.7664695 ] ]
-13.614756
[ 0, 0, 0, 0 ]
[ [ 0, -0.0056213, 0.00417797 ], [ 0, 0.00013479, -0.00290648 ], [ 0, 0.00029531, -0.00019422 ], [ 0, 0.00519121, -0.00107727 ] ]
-0.000042
2.402675
pbe
true
70b75780ebc1a33be1b1ac659022890c_38_Ca2Be1Ni1
[ "Al", "Ga", "Rh" ]
8
A2BC
Al2GaRh
Al4 Ga2 Rh2
3
[ 1, 1, 1 ]
3
[ [ 7.81774067, 0, 0 ], [ 0, 7.81774067, 0 ], [ 3.90887033, 3.90887033, 2.45400664 ] ]
agm002787767
[ [ 0, 0, 0 ], [ 7.817740667500001, 3.9088703325000003, 1.22700332 ], [ 6.476343720773515, 1.9544351662500001, 0.61350166 ], [ 1.3413969467264857, 5.86330550125, 0.61350166 ], [ 5.86330549875, 5.2502672792264855, 1.84050498 ], [ 9.77217583375, 10.385214053273515, 1.84050498 ], [ 3.908870335, 3.908870335, 0 ], [ 3.9088703325000003, 7.817740667500001, 1.22700332 ] ]
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Rh", "Rh", "Al", "Al", "Al", "Al", "Ga", "Ga" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 3.4265318, 0, 0 ], [ 0, 3.4265318, 0 ], [ 0, 0, 4.889306 ] ]
-37.073329
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.02307796, 0, 0 ], [ 0.02307796, 0, 0 ], [ 0, 0.02307796, 0 ], [ 0, -0.02307796, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
4.183125
pbe
true
2d3277e0f9a515b8c1fb17f8d857ed43_122_Al4Ga2Rh2
[ "La", "Mg", "Nb", "O" ]
30
A9B3C2D
La3Mg2NbO9
La6 Mg4 Nb2 O18
4
[ 1, 1, 1 ]
3
[ [ -3.99745543, -3.99745543, 0 ], [ 0, 0, -8.0134622 ], [ 4.03937429, -8.03682972, -4.0067311 ] ]
mp-1223356
[ [ -1.998727715, -1.998727715, -2.235055497069098 ], [ -2.215885833144534, -5.779021029400036, -5.881003540285233 ], [ 2.2578046931445335, -6.255264120599963, -9.887742653747434 ], [ -1.998727715, -1.998727715, -5.778406702930901 ], [ -2.215885833144534, -5.779021029400036, -2.1324506462525656 ], [ 2.2578046931445335, -6.255264120599963, -6.139189759714766 ], [ 0, 0, 0 ], [ 0.02587037515728885, -4.023321767727305, -4.006727053201589 ], [ 0.016048484842710486, -8.010963382272696, -8.01346624679841 ], [ 0, 0, -4.0067311 ], [ 0.0410986295696818, -4.038550062114252, -8.0134581932689 ], [ 0.0008202304303170926, -7.995735087885748, -4.0067351067310994 ], [ 0, 0, -1.998889149880458 ], [ -0.12030358064721103, -3.8771478518973588, -6.030115240191064 ], [ 0.1622224406472106, -8.15713729810264, -10.036854353653263 ], [ -0.004963982321080307, -1.994429229058906, -4.0067311 ], [ 0.12277553528699259, -6.0162867958116895, -8.013458153201588 ], [ -0.07234559370663307, -10.009176519252712, -4.006735146798411 ], [ 2.044945020966539, -8.041793742295635, -8.0134622 ], [ -1.9723428017972817, -4.111715886251202, -8.013458153201588 ], [ -1.9769165032671199, -7.9140581821684375, -4.006735146798411 ], [ 0, 0, -6.014573050119542 ], [ -0.12030358064721103, -3.8771478518973588, -1.983338946346736 ], [ 0.1622224406472106, -8.15713729810264, -5.990078059808935 ], [ 0.04688284232108009, -10.039855920941093, -8.0134622 ], [ 0.1142644537066323, -2.0251086307472885, -8.013458153201588 ], [ -0.08085667528699303, -6.01799835418831, -4.006735146798411 ], [ -2.0030261609665394, -3.992491407704365, -4.0067311 ], [ 2.018835363267119, -4.120226967831563, -8.013458153201588 ], [ 2.0142616617972813, -7.922569263748797, -4.006735146798411 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "La", "La", "La", "La", "La", "La", "Mg", "Mg", "Mg", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2019-01-12 23:45:43
[ 0.2, 0.13333333333333333, 0.06666666666666667, 0.6 ]
[ [ 1.20666875, -0.06102259, 0 ], [ -0.06102259, 1.20666875, 0 ], [ 0, 0, -0.23043726 ] ]
-235.436714
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.01959753 ], [ -0.09482801, 0.09482801, -0.06065038 ], [ 0.09482801, -0.09482801, -0.06065038 ], [ 0, 0, -0.01959753 ], [ -0.09482801, 0.09482801, 0.06065038 ], [ 0.09482801, -0.09482801, 0.06065038 ], [ 0, 0, 0 ], [ 0.06734875, -0.06734875, 0 ], [ -0.06734875, 0.06734875, 0 ], [ 0, 0, 0 ], [ 0.03182798, -0.03182798, 0 ], [ -0.03182798, 0.03182798, 0 ], [ 0, 0, -0.02251002 ], [ -0.03031918, 0.03031918, -0.05424554 ], [ 0.03031918, -0.03031918, -0.05424554 ], [ -0.0134881, 0.02509358, 0 ], [ -0.03778182, 0.05251848, 0 ], [ 0.0145054, 0.02708294, 0 ], [ 0.02509358, -0.0134881, 0 ], [ 0.02708294, 0.0145054, 0 ], [ 0.05251848, -0.03778182, 0 ], [ 0, 0, 0.02251002 ], [ -0.03031918, 0.03031918, 0.05424554 ], [ 0.03031918, -0.03031918, 0.05424554 ], [ 0.0134881, -0.02509358, 0 ], [ -0.0145054, -0.02708294, 0 ], [ 0.03778182, -0.05251848, 0 ], [ -0.02509358, 0.0134881, 0 ], [ -0.05251848, 0.03778182, 0 ], [ -0.02708294, -0.0145054, 0 ] ]
0
5.652728
pbe
true
f08375890ef8c7f6e82dc94f3d8737dd_71_La6Mg4Nb2O18
[ "Cs", "Zn" ]
4
AB
CsZn
Cs2 Zn2
2
[ 1, 1, 1 ]
3
[ [ 6.54181, 0, 0 ], [ -3.270905, 5.66537365, 0 ], [ 0, 0, 7.62269 ] ]
agm004451568
[ [ -3.2709049996810234e-8, 3.7769157855512456, 5.717017500000001 ], [ 3.2709050327090505, 1.8884578644487544, 1.9056725 ], [ -3.2709049996810234e-8, 3.7769157855512456, 1.9056725 ], [ 3.2709050327090505, 1.8884578644487544, 5.717017500000001 ] ]
[{"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "Zn", "Zn" ]
2023-11-16 06:57:59
[ 0.5, 0.5 ]
[ [ 0.48085773, 0, 0 ], [ 0, 0.48085773, 0 ], [ 0, 0, 0.5680864 ] ]
-2.762824
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000147
4.679816
pbe
true
0e23022083d7e8330b138748fa90f5e4_194_Cs2Zn2
[ "Pb", "Sc", "Te", "Tl" ]
8
A4B2CD
PbScTe4Tl2
Sc1 Tl2 Te4 Pb1
4
[ 1, 1, 1 ]
3
[ [ 4.40906768, -0.00000181, -0.00000172 ], [ 0.00004711, 8.11546782, -0.27476955 ], [ 0.00004116, 2.74668509, 7.41757963 ] ]
agm004861173
[ [ 0.0000463394364, 5.431040122275079, 3.5714400677247746 ], [ 0.00004116000595, 2.74669045878273, 7.41757193765082 ], [ 2.20455442000595, 1.3733470087827302, 3.70878126265082 ], [ 0.0000774685115637, 7.894710640720751, 5.217037563848851 ], [ 4.409074072429681, 2.9674485124551526, 1.9257592576290987 ], [ 2.204587863852052, 6.554263483744514, 1.9102630948444685 ], [ 2.204563677086217, 4.307892985040025, 5.232537572808071 ], [ 2.204594145982405, 6.804428894860995, 7.28018987405758 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "Sc", "Tl", "Tl", "Te", "Te", "Te", "Te", "Pb" ]
2023-11-16 06:57:59
[ 0.125, 0.125, 0.5, 0.25 ]
[ [ 1.8902535, 0.00001142, 0.00000575 ], [ 0.00001142, 2.0686493, -0.01396808 ], [ 0.00000575, -0.0139671, 1.9562806 ] ]
-32.079626
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -2e-8, -0.00362421, 0.00063567 ], [ 2e-8, 0.00362421, -0.00063567 ], [ -1e-8, -0.00169338, -0.00137131 ], [ 1e-8, 0.00169338, 0.00137131 ], [ 0, 0, 0 ] ]
-0.000003
4.491625
pbe
true
b5897f10d4fdc653881a472951478036_10_Sc1Tl2Te4Pb1
[ "Pb", "Se", "Zn", "Zr" ]
12
A3BCD
PbSe3ZnZr
Pb1 Se3 Zn1 Zr1
4
[ 1, 1, 1 ]
3
[ [ 1.867932029, -7.536698447, 0 ], [ 1.867932029, 7.536698447, 0 ], [ 0, 0, 10.182771967 ] ]
oqmd-4869939
[ [ 1.8679299999999992, 3.8160300000000023, 2.54569 ], [ 1.8679299999999992, -3.8160300000000023, 7.637079999999998 ], [ 1.8679300000000012, -5.53394, 0.46952999999999984 ], [ 1.8679300000000008, -1.117119999999997, 2.54569 ], [ 1.8679300000000012, -5.53394, 4.621849999999999 ], [ 1.867930000000001, 5.53394, 5.560919999999999 ], [ 1.8679300000000008, 1.117119999999997, 7.637079999999998 ], [ 1.867930000000001, 5.53394, 9.71324 ], [ 1.8679299999999992, -6.925809999999998, 2.54569 ], [ 1.8679299999999992, 6.9258099999999985, 7.637079999999998 ], [ 1.867929999999999, -2.0374067178666899e-16, 0 ], [ 1.867929999999999, -2.0374067178666899e-16, 5.091389999999998 ] ]
[{"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"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]
[ "Pb", "Pb", "Se", "Se", "Se", "Se", "Se", "Se", "Zn", "Zn", "Zr", "Zr" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.5, 0.16666666666666666, 0.16666666666666666 ]
[ [ 0.83866853, 0, 0 ], [ 0, 4.07897383, 0 ], [ 0, 0, 3.60889466 ] ]
-56.0311
[ 0.001, 0.001, 0, 0, 0, 0, 0, 0, 0, 0, 0.005, 0.006 ]
[ [ 0, -0.035696, 0 ], [ 0, 0.035696, 0 ], [ 0, 0.004092, -0.021503 ], [ 0, 0.057239, 0 ], [ 0, 0.004092, 0.021503 ], [ 0, -0.004092, -0.021503 ], [ 0, -0.057239, 0 ], [ 0, -0.004092, 0.021503 ], [ 0, 0.005056, 0 ], [ 0, -0.005056, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.028444
null
pbe
true
6c847d9440cd8680987ec0446a3bf70c_63_Zr2Zn2Pb2Se6
[ "Cu", "F" ]
12
A2B
CuF2
Cu1 F2
2
[ 1, 1, 1 ]
3
[ [ 4.93763481, 0, 0 ], [ 0, 4.93763481, 0 ], [ 0, 0, 4.93763481 ] ]
oqmd-7925026
[ [ 0, 0, 0 ], [ 2.4688200000000005, 2.4688200000000005, 0 ], [ 2.4688200000000005, 0, 2.4688200000000005 ], [ 0, 2.4688200000000005, 2.4688200000000005 ], [ 3.24433, 4.16213, 0.77551 ], [ 4.16109, 1.6922800000000002, 0.77654 ], [ 0.77654, 4.16109, 1.6922800000000002 ], [ 1.69331, 1.69331, 1.69331 ], [ 4.16213, 0.77551, 3.24433 ], [ 3.24536, 3.24536, 3.24536 ], [ 1.6922800000000002, 0.77654, 4.16109 ], [ 0.77551, 3.24433, 4.16213 ] ]
[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]
[ "Cu", "Cu", "Cu", "Cu", "F", "F", "F", "F", "F", "F", "F", "F" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.6666666666666666 ]
[ [ 93.89755718, 0, 0 ], [ 0, 93.89755718, 0 ], [ 0, 0, 93.89755718 ] ]
-46.6062
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00101, -0.00101, -0.00101 ], [ -0.00101, 0.00101, 0.00101 ], [ 0.00101, 0.00101, -0.00101 ], [ 0.00101, -0.00101, 0.00101 ], [ -0.005446, 0.005446, -0.005446 ], [ 0.010512, 0.010512, -0.010512 ], [ -0.010512, 0.010512, 0.010512 ], [ 0.005446, 0.005446, 0.005446 ], [ 0.005446, -0.005446, -0.005446 ], [ -0.010512, -0.010512, -0.010512 ], [ 0.010512, -0.010512, 0.010512 ], [ -0.005446, -0.005446, 0.005446 ] ]
null
null
pbe
true
bea3eaa723cdb83e5c6628a3600f57b0_205_Cu4F8
[ "Cu", "Fe" ]
3
A2B
CuFe2
Fe2 Cu1
2
[ 1, 1, 1 ]
3
[ [ -1.27073399, 1.78266567, 3.94953687 ], [ 1.27073399, -1.78266567, 3.94953687 ], [ 1.27073399, 1.78266567, -3.94953687 ] ]
agm005456066
[ [ 5.0122399812505587e-17, -6.419745021893277e-17, 5.2871274696517485 ], [ -9.640004043579609e-18, 5.213297135855868e-17, 2.6119462703482514 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
[ "Fe", "Fe", "Cu" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.6666666666666666 ]
[ [ 1.2479504, 0, 0 ], [ 0, 1.0171593, 0 ], [ 0, 0, 1.4380652 ] ]
-20.581508
[ 2.576, 2.576, 0.097 ]
[ [ 0, 0, -0.00395166 ], [ 0, 0, 0.00395166 ], [ 0, 0, 0 ] ]
5.156668
1.781834
pbe
true
0c0b460cb7f2453029935ad7d2e3f508_71_Fe2Cu1
[ "Cu", "Fe" ]
4
A3B
Cu3Fe
Cu3 Fe1
2
[ 1, 1, 1 ]
3
[ [ 0, 2.868156, 2.868156 ], [ 2.868156, 0, 2.868156 ], [ 2.868156, 2.868156, 0 ] ]
oqmd-1990677
[ [ 0, 0, 0 ], [ 1.4340799999999982, 1.4340799999999982, 1.4340799999999982 ], [ 2.8681600000000023, 2.8681600000000023, 2.8681600000000023 ], [ 4.302229999999998, 4.302229999999998, 4.302229999999998 ] ]
[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}]
[ "Cu", "Cu", "Cu", "Fe" ]
2024-11-01 00:00:00
[ 0.75, 0.25 ]
[ [ 1.47501, 0, 0 ], [ 0, 1.47501, 0 ], [ 0, 0, 1.47501 ] ]
-18.7686
[ 0.046, -0.012, 0.046, 2.745 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.77273
null
pbe
true
23986253eef2a4221c224e545fb0154f_225_Fe1Cu3
[ "Cu", "Mo" ]
4
A3B
Cu3Mo
Cu3 Mo1
2
[ 1, 1, 1 ]
3
[ [ 2.53027697, 0, 0 ], [ 0, 4.31290322, 0 ], [ 0, 0, 4.82070817 ] ]
agm003815505
[ [ 0, 0, 0.0006063004665409 ], [ 1.265138485, 0, 2.495908976555013 ], [ 1.265138485, 2.15645161, 3.9783425897036144 ], [ 0, 2.15645161, 1.5596557660105248 ] ]
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
[ "Cu", "Cu", "Cu", "Mo" ]
2023-11-16 06:57:59
[ 0.75, 0.25 ]
[ [ -9.53383, 0, 0 ], [ 0, -9.914369, 0 ], [ 0, 0, -9.016821 ] ]
-22.100669
[ 0, 0, 0, 0 ]
[ [ 0, 0, -0.01072369 ], [ 0, 0, 0.00906781 ], [ 0, 0, 0.00497091 ], [ 0, 0, -0.00331504 ] ]
0.000005
2.432779
pbe
true
968418e55cd9fba15c41bb2ebe8f67e9_25_Cu3Mo1
[ "Cu", "Re" ]
4
AB
CuRe
Cu2 Re2
2
[ 1, 1, 1 ]
3
[ [ 2.64022549, 0, 0 ], [ 0, 4.35611866, 0 ], [ 0, 0, 4.79281593 ] ]
agm004007811
[ [ 0, 0, 4.748436179901934 ], [ 1.320112745, 2.17805933, 4.038393009122012 ], [ 0, 2.17805933, 1.5763558173885395 ], [ 1.320112745, 0, 2.4176574895635667 ] ]
[{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
[ "Cu", "Cu", "Re", "Re" ]
2023-11-16 06:57:59
[ 0.5, 0.5 ]
[ [ -4.6690106, 0, 0 ], [ 0, -6.959968, 0 ], [ 0, 0, -5.6748033 ] ]
-32.055307
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0.00219693 ], [ 0, 0, -0.00219693 ], [ 0, 0, 0.0005587 ], [ 0, 0, -0.0005587 ] ]
-0.000012
2.479232
pbe
true
2a89e45bd1d5bdafe2cc87d41c3da819_59_Cu2Re2
[ "Cu", "Sr" ]
4
AB
CuSr
Sr2 Cu2
2
[ 1, 1, 1 ]
3
[ [ 6.51149586, 0.03691019, 0 ], [ 3.45481749, 5.51952686, 0 ], [ -4.98315519, -2.7782177, 3.13856829 ] ]
agm003866266
[ [ 0, 0, 0 ], [ 1.7274094875000001, 2.7597638425000004, 1.569284145 ], [ 4.983156675, 2.778218525, 0 ], [ 3.2557486725, 0.018455507500000135, 1.569284145 ] ]
[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Cu", "Cu", "Sr", "Sr" ]
2023-11-16 06:57:59
[ 0.5, 0.5 ]
[ [ -2.2285914, 0.11913604, -0.00000116 ], [ 0.11913604, -2.375859, -6.4e-7 ], [ -0.00000116, -6.4e-7, -2.4422846 ] ]
-10.755232
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.734351
pbe
true
6cc0c45099774303c3052d8a33f6ecb5_141_Sr2Cu2
[ "Pm", "Pr", "Sm", "Tm" ]
12
A2B2CD
Pm2Pr2SmTm
Pm4 Pr4 Sm2 Tm2
4
[ 1, 1, 1 ]
3
[ [ 5.74844602, 0, 0 ], [ 0, 7.11136879, 0 ], [ 0, 0, 9.95013725 ] ]
agm004741867
[ [ 0, 1.8322530579544876, 8.31923731772582 ], [ 2.87422301, 1.8321104750102482, 3.3035979036012972 ], [ 0, 5.387937452954487, 1.6308999322741797 ], [ 2.87422301, 5.387794870010247, 6.646539346398702 ], [ 2.87422301, 0.0536952434131498, 0.00005800930016749999 ], [ 0, 1.831623275134445, 1.76919370586801 ], [ 2.87422301, 3.6093796384131496, 9.950079240699832 ], [ 0, 5.387307670134446, 8.180943544131988 ], [ 2.87422301, 1.832015893805341, 6.543285379136237 ], [ 2.87422301, 5.387700288805341, 3.4068518708637625 ], [ 0, 0.0539563728751186, 4.975432899524722 ], [ 0, 3.6096407678751192, 4.974704350475277 ] ]
[{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Pm", "Pm", "Pm", "Pm", "Pr", "Pr", "Pr", "Pr", "Sm", "Sm", "Tm", "Tm" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.16666666666666666, 0.16666666666666666 ]
[ [ 1.1899778, 0, 0 ], [ 0, 1.4071386, 0 ], [ 0, 0, 1.1757536 ] ]
-55.811607
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00221159, -0.00340724 ], [ 0, -0.00121673, -0.00184517 ], [ 0, -0.00221159, 0.00340724 ], [ 0, -0.00121673, 0.00184517 ], [ 0, 0.00153108, -0.0006202 ], [ 0, 0.00112938, 0.00282862 ], [ 0, 0.00153108, 0.0006202 ], [ 0, 0.00112938, -0.00282862 ], [ 0, 0.00010522, -0.0043744 ], [ 0, 0.00010522, 0.0043744 ], [ 0, 0.00066264, -0.00087662 ], [ 0, 0.00066264, 0.00087662 ] ]
-0.000012
18.404963
pbe
true
c32f3623291598002994c53d2b8ca659_51_Pm4Pr4Sm2Tm2
[ "Cu", "Ta" ]
4
AB
CuTa
Ta2 Cu2
2
[ 1, 1, 1 ]
3
[ [ 2.97413295, 0, 0 ], [ 0, 5.7967082, 0 ], [ 0, 0, 3.56891095 ] ]
agm002060453
[ [ 0, 2.2744534689606883, 0 ], [ 1.487066475, 3.5222547310393124, 1.784455475 ], [ 0, 4.975176222668184, 0 ], [ 1.487066475, 0.821531977331816, 1.784455475 ] ]
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
[ "Cu", "Cu", "Ta", "Ta" ]
2023-11-16 06:57:59
[ 0.5, 0.5 ]
[ [ -5.1968746, 0, 0 ], [ 0, -6.462698, 0 ], [ 0, 0, -4.7874475 ] ]
-31.53232
[ 0, 0, 0, 0 ]
[ [ 0, -0.00935483, 0 ], [ 0, 0.00935483, 0 ], [ 0, 0.00211616, 0 ], [ 0, -0.00211616, 0 ] ]
0
2.039401
pbe
true
204ce74ff2e12ccd62c1d7219827eb70_59_Ta2Cu2
[ "Cu", "Ta" ]
4
AB
CuTa
Ta2 Cu2
2
[ 1, 1, 1 ]
3
[ [ 4.46547528, 0, 0 ], [ 2.23273764, 3.86721504, 0 ], [ 2.23273764, 1.28907168, 3.6460453 ] ]
agm004174380
[ [ 0, 0, 0 ], [ 2.23273764, 1.28907168, 0.911511325 ], [ 4.46547528, 2.57814336, 1.82302265 ], [ 6.69821292, 3.86721504, 2.7345339749999997 ] ]
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
[ "Cu", "Cu", "Ta", "Ta" ]
2023-11-16 06:57:59
[ 0.5, 0.5 ]
[ [ -4.940725, 0, 0 ], [ 0, -4.940725, 0 ], [ 0, 0, -4.940725 ] ]
-29.933933
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.001155
4.75498
pbe
true
49643b5d2166f2f57d3c0a16f433b7db_227_Ta2Cu2
[ "Be", "Ca", "Ni" ]
4
A2BC
BeCaNi2
Ca1 Be1 Ni2
3
[ 1, 1, 1 ]
3
[ [ 2.78718401, 0, 0 ], [ 0, 3.31547055, 0 ], [ 0, 0, 6.18266889 ] ]
agm003830882
[ [ 0, 0, 0.3646449080889984 ], [ 1.393592005, 1.657735275, 1.7517603691059491 ], [ 1.393592005, 1.657735275, 4.666441929260269 ], [ 0, 0, 2.4911561285447843 ] ]
[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}]
[ "Ni", "Ni", "Ca", "Be" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ -5.895738, 0, 0 ], [ 0, -6.4212, 0 ], [ 0, 0, -6.403969 ] ]
-16.906419
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0.01462374 ], [ 0, 0, -0.01303708 ], [ 0, 0, 0.00110925 ], [ 0, 0, -0.0026959 ] ]
-0
3.394825
pbe
true
4b8da20ef7fa7bbebf613314043f7eb7_25_Ca1Be1Ni2
[ "La", "Mg", "Pr", "Y" ]
20
A6B2CD
La6MgPr2Y
La12 Pr4 Y2 Mg2
4
[ 1, 1, 1 ]
3
[ [ 9.09711233, -2.05109552, -2.12857411 ], [ 0.88055375, 8.66774841, -0.9618819 ], [ 0.88055375, -1.28245903, 8.62614503 ] ]
agm004977465
[ [ 1.484702925555514, -0.4381917384246679, 6.164118612749453 ], [ 4.824960739444485, 0.1836178379541308, 6.809416578098333 ], [ 9.373516904444486, 5.772385598424667, -0.6284295927494534 ], [ 6.0332590905555135, 5.150576022045868, -1.2737275580983338 ], [ 3.4059388593162114, -0.9557090190321562, 3.262021013173623 ], [ 2.9037248056837885, 3.0645418224074175, 7.434133805490079 ], [ 7.4522809706837885, 6.289902879032156, 2.2736680068263766 ], [ 7.954495024316211, 2.269652037592582, -1.8984447854900792 ], [ 1.873427964090327, 5.1190341531425805, 2.847747768690457 ], [ 4.436235700909673, 3.703668284688129, 1.3789175194446142 ], [ 8.984791865909672, 0.21515970685741906, 2.6879412513095433 ], [ 6.421984129090328, 1.630525575311871, 4.156771500555386 ], [ 5.0590272521436646, 5.15059062857742, 4.703743569983888 ], [ 1.250636412856335, 1.8501170861597394, 1.2785971225766073 ], [ 5.799192577856334, 0.18360323142258098, 0.8319454500161123 ], [ 9.607583417143667, 3.4840767738402607, 4.2570918974233924 ], [ 3.1548318324999998, 7.4306566420607805, -0.7960721981508475 ], [ 7.703387997499999, -2.09646278206078, 6.331761218150848 ], [ 3.1548318324999998, 2.2251594508622583, 4.219948578723607 ], [ 7.703387997499999, 3.1090344091377413, 1.3157404412763922 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "Pr", "Pr", "Pr", "Pr", "Y", "Y", "Mg", "Mg" ]
2023-11-16 06:57:59
[ 0.6, 0.1, 0.2, 0.1 ]
[ [ 0.8001411, 0.00374248, 0.00388385 ], [ 0.00374252, 0.6379744, 0.00030689 ], [ 0.0038839, 0.00030689, 0.63799715 ] ]
-92.638933
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00300845, -0.0026396, -0.00214349 ], [ 0.00300845, 0.00204419, 0.00271722 ], [ 0.00300845, 0.0026396, 0.00214349 ], [ -0.00300845, -0.00204419, -0.00271722 ], [ 0.00024653, 0.00230341, -0.00028055 ], [ -0.00024653, 0.00036572, -0.00229143 ], [ -0.00024653, -0.00230341, 0.00028055 ], [ 0.00024653, -0.00036572, 0.00229143 ], [ -0.00104673, -0.00172421, -0.00349285 ], [ 0.00104673, 0.00342655, 0.00185247 ], [ 0.00104673, 0.00172421, 0.00349285 ], [ -0.00104673, -0.00342655, -0.00185247 ], [ -0.0029936, 0.00329959, -0.00022368 ], [ 0.0029936, 0.00034581, -0.00328904 ], [ 0.0029936, -0.00329959, 0.00022368 ], [ -0.0029936, -0.00034581, 0.00328904 ], [ 0, -0.00156581, 0.00150881 ], [ 0, 0.00156581, -0.00150881 ], [ 0, -0.0066526, 0.00641045 ], [ 0, 0.0066526, -0.00641045 ] ]
0.000001
31.856339
pbe
true
696308ba447add75eca06654ce30552c_15_La12Pr4Y2Mg2
[ "Be", "Ca", "P" ]
4
A2BC
BeCa2P
Ca2 Be1 P1
3
[ 1, 1, 1 ]
3
[ [ 3.6332113, 0.00054623, 0 ], [ -1.51763975, 3.30105956, 0 ], [ 0, 0, 8.42682905 ] ]
agm003966946
[ [ 0, 0, 4.796990807199829 ], [ 0, 0, 7.807821827986284 ], [ 1.0577857750000002, 1.650802895, 2.785327052969483 ], [ 1.0577857750000002, 1.650802895, 5.676932936844405 ] ]
[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "P", "Ca", "Ca", "Be" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 0.04042497, -0.07507142, 0 ], [ -0.07507142, -0.02862953, 0 ], [ 0, 0, 0.08909526 ] ]
-13.679686
[ 0, 0, 0, 0 ]
[ [ 0, 0, -0.00235286 ], [ 0, 0, 0.00137403 ], [ 0, 0, -0.00310608 ], [ 0, 0, 0.00408491 ] ]
-0.000036
3.126866
pbe
true
610378cab280198dbffd08fe1b1a6f38_35_Ca2Be1P1
[ "La", "Mn", "N", "Pa" ]
20
A12B4C3D
LaMn4N12Pa3
La1 Pa3 Mn4 N12
4
[ 1, 1, 1 ]
3
[ [ 7.07613478, -0.04281426, -0.0594807 ], [ -1.74650044, 6.85735026, -0.0594807 ], [ -1.74650044, -2.23309694, 6.48383133 ] ]
agm004709027
[ [ 0, 0, 0 ], [ 3.0896796387489114, 3.0749839533814605, -0.0594807 ], [ 2.239954701251089, -1.2434307651267726, 3.527274787384199 ], [ -1.74650044, 2.749885871745312, 2.897075842615801 ], [ 5.770237791970131, -0.8209905992238196, 3.182434965 ], [ -2.18710389197013, 1.302985863438164, 6.133218277978612 ], [ 1.7915669500000004, 6.390163325785656, 0.23165165202138813 ], [ 1.79156695, 2.2907195299999996, 3.182434965 ], [ 1.79156695, 0.8753506275352718, 4.201218767669835 ], [ 5.254155186212016, 3.150331976013259, 0.6144045867767268 ], [ -1.6710212862120166, 4.998802534578709, 3.182434965 ], [ 1.7915669500000002, -1.276975920591968, 5.750465343223273 ], [ 0.43024345266702785, 6.176727038906625, 1.269299198633744 ], [ -0.8383530313599169, 0.23517636089303037, 6.260195138166094 ], [ 5.891091337728669, 0.5987044918323108, 2.2101544451854895 ], [ 3.152890447332972, 5.338429351246926, 0.10467479183390611 ], [ -2.307957437728668, 2.6756297101984403, 5.095570731366256 ], [ 4.421486931359918, -1.280349773077334, 4.154715484814511 ], [ 3.1652379315748176, 2.6317432359491533, 2.163651162330165 ], [ 0.41789596842518206, 3.365064726515575, 3.182434965 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "La", "Pa", "Pa", "Pa", "Mn", "Mn", "Mn", "Mn", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N" ]
2023-11-16 06:57:59
[ 0.05, 0.2, 0.6, 0.15 ]
[ [ 0.70365864, 0.01374799, 0.01909972 ], [ 0.01374799, 0.71048474, 0.02442113 ], [ 0.01909972, 0.02442113, 0.726834 ] ]
-182.23596
[ 0.046, 0.25, 0.25, 0.25, 2.125, 2.125, 2.125, 2.377, -0.042, -0.026, -0.026, -0.026, -0.051, -0.051, -0.051, -0.051, -0.051, -0.051, -0.042, -0.042 ]
[ [ 0, 0, 0 ], [ 0.00233326, -0.00182484, 0 ], [ -0.00233326, -0.00057925, 0.00173046 ], [ 0, 0.00240409, -0.00173046 ], [ -0.00169489, 0.00132557, 0 ], [ 0.00169489, 0.00042077, -0.00125701 ], [ 0, -0.00174634, 0.00125701 ], [ 0, 0, 0 ], [ 0, -0.00262563, 0.00188993 ], [ -0.00324898, -0.00080658, 0.00240961 ], [ 0.00324898, -0.00254102, 0 ], [ 0, 0.0033476, -0.00240961 ], [ 0.0028322, -0.00109303, 0.00223075 ], [ 0.00170739, 0.00334205, -0.00032841 ], [ -0.00174323, 0.00132645, 0.00306496 ], [ -0.0028322, -0.00246234, 0.00032841 ], [ 0.00174323, -0.00248541, -0.00223075 ], [ -0.00170739, 0.00137228, -0.00306496 ], [ 0.00254827, 0.00063263, -0.00188993 ], [ -0.00254827, 0.001993, 0 ] ]
9.960453
7.2678
pbe
true
3dbc91cdf0ae8e8dd71e0ffa6130aaa4_155_La1Pa3Mn4N12
[ "Np", "O", "Pd", "Tm" ]
18
A6BCD
NpO6PdTm
Tm2 Np2 Pd2 O12
4
[ 1, 1, 1 ]
3
[ [ 5.34606348, 0, 0 ], [ -2.67303174, 4.62982679, 0 ], [ 0, 0, 9.90448008 ] ]
agm005081502
[ [ 0, 0, 0 ], [ 0, 0, 4.95224004 ], [ 2.6730317667303174, 1.5432755812339107, 2.47612002 ], [ -2.6730317521430544e-8, 3.0865512087660893, 7.428360060000001 ], [ -2.6730317521430544e-8, 3.0865512087660893, 2.47612002 ], [ 2.6730317667303174, 1.5432755812339107, 7.428360060000001 ], [ 1.7800491397439209, 3.034813033282643, 1.3222573018464745 ], [ 4.411235022269617, 1.570847866506005, 1.3222573018464745 ], [ -0.8452206820135375, 4.605670159442228, 6.274497341846475 ], [ -1.7382032822696167, 3.0589789234939953, 8.582222778153527 ], [ 0.9348284577303834, 1.570847866506005, 3.629982738153526 ], [ 3.5660143402560793, 3.034813033282643, 3.629982738153526 ], [ 0.8452206820135375, 4.605670159442228, 8.582222778153527 ], [ 3.5182524220135374, 0.0241566305577719, 3.629982738153526 ], [ -0.8929826002560791, 1.595013756717357, 6.274497341846475 ], [ 1.8278110579864626, 0.0241566305577719, 1.3222573018464745 ], [ 1.7382032822696165, 3.0589789234939953, 6.274497341846475 ], [ 0.8929826002560791, 1.595013756717357, 8.582222778153527 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "Tm", "Tm", "Np", "Np", "Pd", "Pd", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.6666666666666666, 0.1111111111111111, 0.1111111111111111 ]
[ [ 0.41853073, 0, 0 ], [ 0, 0.41853073, 0 ], [ 0, 0, 1.159467 ] ]
-145.999699
[ 0.015, 0.015, 1.349, 1.349, 0.509, 0.509, 0.016, 0.016, 0.016, 0.016, 0.016, 0.016, 0.016, 0.016, 0.016, 0.016, 0.016, 0.016 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00278316, 0.00066444, 0.00112231 ], [ -0.00081616, -0.00274251, 0.00112231 ], [ -0.001967, -0.00207807, 0.00112231 ], [ 0.00081616, 0.00274251, -0.00112231 ], [ 0.00081616, -0.00274251, -0.00112231 ], [ -0.00278316, 0.00066444, -0.00112231 ], [ 0.001967, -0.00207807, -0.00112231 ], [ 0.001967, 0.00207807, -0.00112231 ], [ 0.00278316, -0.00066444, 0.00112231 ], [ -0.001967, 0.00207807, 0.00112231 ], [ -0.00081616, 0.00274251, 0.00112231 ], [ -0.00278316, -0.00066444, -0.00112231 ] ]
4.068963
15.994679
pbe
true
d60897d6a2e19b045e6833a2702bb13c_163_Tm2Np2Pd2O12
[ "I", "Sb", "Sn" ]
4
A2BC
ISbSn2
Sn2 Sb1 I1
3
[ 1, 1, 1 ]
3
[ [ 3.87461633, 0, 0 ], [ 0, 3.87461633, 0 ], [ 0, 0, 8.23092461 ] ]
agm001811574
[ [ 1.937308165, 1.937308165, 4.115462305 ], [ 1.937308165, 1.937308165, 0 ], [ 0, 0, 6.449262537453968 ], [ 0, 0, 1.7816620725460335 ] ]
[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "I", "Sb", "Sn", "Sn" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 2.2043712, 0, 0 ], [ 0, 2.2043712, 0 ], [ 0, 0, 2.1555715 ] ]
-13.661176
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00726043 ], [ 0, 0, -0.00726043 ] ]
0
2.34101
pbe
true
96a9650b0fc68af5b5ebf200051e3100_123_Sn2Sb1I1
[ "Cu", "Zn" ]
12
A2B
CuZn2
Cu1 Zn2
2
[ 1, 1, 1 ]
3
[ [ 4.598787, 0, 0 ], [ 0, 7.999919, 0 ], [ 0, 0, 4.276662 ] ]
oqmd-2619934
[ [ 4.594129999999999, 0, 0 ], [ 2.294729999999998, 3.999949999999997, 0 ], [ 1.5375499999999998, 0, 2.1383300000000007 ], [ 3.83695, 3.999949999999997, 2.1383300000000007 ], [ 2.27255, 1.312050000000003, 0 ], [ 4.57195, 2.687920000000003, 0 ], [ 4.57195, 5.312009999999996, 0 ], [ 2.27255, 6.68787, 0 ], [ 3.8591199999999986, 1.312050000000003, 2.1383300000000007 ], [ 1.559729999999998, 2.687920000000003, 2.1383300000000007 ], [ 1.559729999999998, 5.312009999999996, 2.1383300000000007 ], [ 3.8591199999999986, 6.68787, 2.1383300000000007 ] ]
[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Cu", "Cu", "Cu", "Cu", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.6666666666666666 ]
[ [ 45.23769, 0, 0 ], [ 0, 42.76329, 0 ], [ 0, 0, 37.2367 ] ]
-25.846
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.002421, 0, 0 ], [ -0.002421, 0, 0 ], [ 0.002421, 0, 0 ], [ 0.002421, 0, 0 ], [ -0.014134, -0.015, 0 ], [ -0.014134, 0.015, 0 ], [ -0.014134, -0.015, 0 ], [ -0.014134, 0.015, 0 ], [ 0.014134, -0.015, 0 ], [ 0.014134, 0.015, 0 ], [ 0.014134, -0.015, 0 ], [ 0.014134, 0.015, 0 ] ]
null
null
pbe
true
1a0c9af54faba02fe4c3c1390f2502c6_63_Zn8Cu4
[ "La", "Mn", "O", "Sb" ]
22
A14B3C3D2
La3Mn2O14Sb3
La3 Mn2 O14 Sb3
4
[ 1, 1, 1 ]
3
[ [ 3.82003202, 2.20548672, 5.98995229 ], [ -3.82003303, 2.20550729, 5.98994536 ], [ 0.00001731, -4.41097706, 5.98994259 ] ]
mp-1191110
[ [ 0.00003685495981288889, 2.2054714211714446, 5.989918875276046 ], [ 1.91005121413841, -1.1026891725803236, 5.990017043258046 ], [ 1.9100319528098983, 1.1027549226168567, 11.979843194081802 ], [ 0.000006673492641152351, 0.000017523428867960433, 17.96981394412559 ], [ -0.000005372862804040897, -0.000011506716792730742, 8.984918502683282 ], [ 0.000009058421456546051, 2.20550206148482, 14.974869184595931 ], [ -1.9100160947869975, 1.1027516380059166, 2.9949771125590825 ], [ 1.910029614557933, -3.308228340641962, 8.984923047763347 ], [ 0.000015980685191162407, 0.000006892250113743614, 11.048061677341337 ], [ -0.0000012468826144861822, 0.000001787154911614408, 6.921771554411755 ], [ 2.2992242412071415, 1.3274610746398643, 9.322178842401515 ], [ 0.000014305523858210445, -2.654909474001487, 9.322166175558298 ], [ -2.2992269692410665, 1.3274556130322421, 9.32218982587725 ], [ -2.299229982800686, -1.327440529625656, 8.647665590544602 ], [ -0.000009312784702775372, 2.654914779041814, 8.64767855688053 ], [ 2.2992275689836457, -1.3274599018518876, 8.647671438801572 ], [ -2.125370801598538, -1.2270546856283264, 13.018659905824256 ], [ 0.00000416957734566922, 2.4541832170546103, 13.018649549117473 ], [ 2.1253928905699793, -1.2270560953263674, 13.018675022632756 ], [ 2.1253697968512912, 1.2270740837772713, 4.951187701796853 ], [ 0.000019197492208407515, -2.454168803386039, 4.951193506161518 ], [ -2.125362380113233, 1.2270966440448716, 4.951164438709295 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"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": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
[ "La", "La", "La", "Mn", "Mn", "Sb", "Sb", "Sb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2020-04-29 19:48:48
[ 0.13636363636363635, 0.09090909090909091, 0.6363636363636364, 0.13636363636363635 ]
[ [ -1.6512627, 0.00118553, -0.00809519 ], [ 0.00118541, -1.6231732, 0.00482971 ], [ -0.00809521, 0.00482973, -0.99910827 ] ]
-161.864808
[ 0.01, 0.01, 0.01, 4.633, 4.641, 0.011, 0.011, 0.011, 0.009, 0.009, 0.018, 0.018, 0.018, 0.018, 0.018, 0.018, 0.015, 0.015, 0.015, 0.015, 0.015, 0.015 ]
[ [ -0.00090669, 0.0005086, 0.00146852 ], [ 0.00059332, -0.00311275, -0.00001753 ], [ 0.0001187, 0.00180455, -0.00263751 ], [ 0.00017427, 0.0000888, 0.00018755 ], [ 0.00009919, 0.00020409, 0.00018536 ], [ 0.00030572, 0.00051056, 0.00022025 ], [ -0.00061684, -0.00013384, -0.00019549 ], [ 0.00003487, -0.00102072, -0.00044719 ], [ 0.00040986, -0.0000655, -0.01252623 ], [ -0.00054774, 0.00009167, 0.01332781 ], [ 0.01882675, 0.01057771, 0.03309058 ], [ 0.00018542, -0.02165249, 0.03451681 ], [ -0.01821748, 0.01109889, 0.03417635 ], [ -0.0192383, -0.01085543, -0.03413467 ], [ 0.00028938, 0.02130306, -0.0340021 ], [ 0.01821296, -0.01081133, -0.03393487 ], [ -0.00708702, -0.00380537, 0.00615513 ], [ -0.00050388, 0.00785129, 0.006175 ], [ 0.0070601, -0.00361222, 0.00437659 ], [ 0.00685386, 0.00335259, -0.00496204 ], [ 0.00067889, -0.00732675, -0.00560982 ], [ -0.00672534, 0.00500458, -0.0054125 ] ]
9.553
5.947461
pbe
true
7cd5dd2376caf3754c8583e370fc3aa4_166_La3Mn2Sb3O14
[ "Dy", "Eu" ]
3
A2B
Dy2Eu
Eu1 Dy2
2
[ 1, 1, 1 ]
3
[ [ 3.64045317, 0.00038034, 0.00021137 ], [ 0.00038034, 3.64045317, 0.00021137 ], [ -1.82066231, -1.82066231, 7.7194097 ] ]
agm001851342
[ [ 1.8204167549999999, 1.8204167549999999, 0.00021137 ], [ -0.00006254753118593987, -0.00006254753118582885, 2.7017301995496905 ], [ 1.8202337475311858, 1.8202337475311858, 5.01810224045031 ] ]
[{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]
[ "Eu", "Dy", "Dy" ]
2023-11-16 06:57:59
[ 0.6666666666666666, 0.3333333333333333 ]
[ [ 1.0234271, 0.05261088, 0.07423592 ], [ 0.05261088, 1.0234271, 0.07423592 ], [ 0.07423581, 0.07423581, 1.8147925 ] ]
-19.306156
[ -6.949, 0.085, 0.085 ]
[ [ 0, 0, 0 ], [ 0.00055429, 0.00055429, -0.00352055 ], [ -0.00055429, -0.00055429, 0.00352055 ] ]
-7.140439
3.789702
pbe
true
7fa5ca9bc91ca110e387b09831aa8d6e_139_Eu1Dy2
[ "O", "Pb", "Sm", "Ta" ]
10
A6B2CD
O6Pb2SmTa
O6 Pb2 Sm1 Ta1
4
[ 1, 1, 1 ]
3
[ [ 5.309539367, 0, 0 ], [ -1.282701409, 5.24274771, 0 ], [ -0.306185796, -0.682214601, 5.60647199 ] ]
oqmd-8709171
[ [ 0.4124300000000002, 3.75248, 0.15041999999999997 ], [ 2.8259600000000007, 3.77695, 1.4162999999999997 ], [ 1.22422, 1.4391700000000005, 1.4756999999999998 ], [ 2.49644, 3.12137, 4.130769999999999 ], [ 0.8946999999999999, 0.7835900000000002, 4.190169999999999 ], [ 3.3082200000000004, 0.8080500000000002, 5.45605 ], [ 0.5370900000000001, 3.3802899999999996, 2.62209 ], [ 3.18356, 1.18024, 2.98438 ], [ 0, 0, 0 ], [ 2.01342, 2.62137, 0 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}]
[ "O", "O", "O", "O", "O", "O", "Pb", "Pb", "Sm", "Ta" ]
2024-11-01 00:00:00
[ 0.6, 0.2, 0.1, 0.1 ]
[ [ 42.14086452, -0.85790295, -8.86028918 ], [ -0.85790295, 45.40860716, -3.73598399 ], [ -8.86028918, -3.73598399, 39.74076952 ] ]
-75.3078
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.035391, -0.0061, 0.021205 ], [ 0.031815, 0.017171, -0.007038 ], [ 0.004207, 0.013003, -0.017112 ], [ -0.004207, -0.013003, 0.017112 ], [ -0.031815, -0.017171, 0.007038 ], [ -0.035391, 0.0061, -0.021205 ], [ -0.018487, 0.000225, 0.014015 ], [ 0.018487, -0.000225, -0.014015 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000799
null
pbe
true
efb0bae86d1dc20a29ffde8e083f18dd_2_Sm1Ta1Pb2O6
[ "Lu", "Rh", "Ru" ]
4
A2BC
Lu2RhRu
Lu2 Ru1 Rh1
3
[ 1, 1, 1 ]
3
[ [ 3.34535673, 0, 0 ], [ 0, 3.34535673, 0 ], [ 0, 0, 6.66345521 ] ]
agm001121737
[ [ 1.672678365, 1.672678365, 0 ], [ 0, 0, 5.033068042845352 ], [ 0, 0, 1.6303871671546475 ], [ 1.672678365, 1.672678365, 3.331727605 ] ]
[{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
[ "Ru", "Lu", "Lu", "Rh" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 5.066353, 0, 0 ], [ 0, 5.066353, 0 ], [ 0, 0, 4.994116 ] ]
-28.767178
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.00324616 ], [ 0, 0, -0.00324616 ], [ 0, 0, 0 ] ]
0.000011
2.200053
pbe
true
ac84614b4796dffa43c7ef554080d344_123_Lu2Ru1Rh1
[ "La", "Mn", "O", "Sr" ]
25
A15B5C4D
LaMn5O15Sr4
Sr4 La1 Mn5 O15
4
[ 1, 1, 1 ]
3
[ [ 5.50012288, 0, 0 ], [ 0, 6.72877771, -0.04938509 ], [ -2.75006144, -2.18248902, 7.95140404 ] ]
agm003275370
[ [ 2.7500587174391744, 2.2562673540612015, 1.576561871963669 ], [ -2.7500614437522685e-8, 2.290019153449779, 6.325465029440371 ], [ -9.249276513423863e-18, 4.506028541137297, 3.1424695163339735 ], [ 2.75006144, 0.040260148862702884, 4.7595494336660265 ], [ 0, 0, 0 ], [ 0, 3.364388855, -0.024692545 ], [ 2.7500641900614404, 3.392593246923979, 4.726280246505884 ], [ -0.0000027500614400262, 1.153695443076022, 3.1757387034941154 ], [ 2.750064217562054, 5.616798028975616, 1.560145048919587 ], [ -0.000002777562054470439, -1.0705093389756162, 6.3418739010804135 ], [ 2.75006144, 0, 0 ], [ -1.37503072, 2.2731443450000004, 3.9510094749999998 ], [ 1.37503072, 2.2731443450000004, 3.9510094749999998 ], [ 2.7500641625608258, 2.3171049484695927, 6.359200803265899 ], [ 0.0000027775620543339437, 2.2291837415304077, 1.5428181467341016 ], [ 2.750061412499386, 4.557788122958553, 3.1696672414385114 ], [ 2.7500614496414507e-8, -0.011499432958552684, 4.732351708561489 ], [ 1.40154749991984, 4.50802374036199, 5.604509528442221 ], [ 1.34851394008016, 0.03826494963801077, 2.297509421557779 ], [ 4.151608939919841, 0.03826494963801077, 2.297509421557779 ], [ -1.40154749991984, 4.50802374036199, 5.604509528442221 ], [ -1.3971244936040448, 0.011514411296606322, 7.16002959514901 ], [ 4.147183183542605, 4.534776461192414, 0.7419814034469495 ], [ 1.3529396964573954, 4.534776461192414, 0.7419814034469495 ], [ 1.397124493604045, 0.011514411296606322, 7.16002959514901 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}]
[ "Sr", "Sr", "Sr", "Sr", "La", "Mn", "Mn", "Mn", "Mn", "Mn", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.04, 0.2, 0.6, 0.16 ]
[ [ 1.1684929, 0, 0 ], [ 0, 1.2533138, -0.35111356 ], [ 0, -0.3511127, 1.5918045 ] ]
-177.378463
[ 0.008, 0.008, 0.008, 0.008, 0.03, 3.315, 3.344, 3.344, 3.31, 3.31, -0.079, -0.056, -0.056, -0.07, -0.07, -0.05, -0.05, -0.076, -0.076, -0.076, -0.076, -0.064, -0.064, -0.064, -0.064 ]
[ [ 0, 0.00167886, -0.00268745 ], [ 0, -0.00167886, 0.00268745 ], [ 0, -0.00055156, -0.0030371 ], [ 0, 0.00055156, 0.0030371 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00844802, -0.00076546 ], [ 0, 0.00844802, 0.00076546 ], [ 0, 0.00190717, -0.00457044 ], [ 0, -0.00190717, 0.00457044 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00372002, -0.00194525 ], [ 0, -0.00372002, 0.00194525 ], [ 0, 0.00087314, 0.00233255 ], [ 0, -0.00087314, -0.00233255 ], [ -0.001895, 0.00149186, -0.00077356 ], [ 0.001895, -0.00149186, 0.00077356 ], [ -0.001895, -0.00149186, 0.00077356 ], [ 0.001895, 0.00149186, -0.00077356 ], [ 0.00081929, -0.00029989, 0.00015973 ], [ -0.00081929, 0.00029989, -0.00015973 ], [ 0.00081929, 0.00029989, -0.00015973 ], [ -0.00081929, -0.00029989, 0.00015973 ] ]
16.04253
6.839143
pbe
true
9364939c3ed859aa8dbb4c1500b27b04_12_Sr4La1Mn5O15
[ "La", "Mn", "O", "Sr" ]
50
A15B5C4D
LaMn5O15Sr4
La2 Mn10 O30 Sr8
4
[ 1, 1, 1 ]
3
[ [ 3.89366354, 0.00169086, 3.88191855 ], [ -7.77459201, 7.74017309, 7.75457251 ], [ -3.89662232, -7.748933, -0.00048602 ] ]
mp-1218611
[ [ -0.00050006018764015, -0.004488853111533908, 3.884068412219431 ], [ -3.892562438553785, 3.865347205595242, 7.764667680130252 ], [ -3.889718598636141, -3.872690031404238, 3.874624593514103 ], [ -7.772246344529181, -0.002327745981775209, 7.7486012073389015 ], [ -3.891673995580593, -0.0048471874490898514, 3.8795433810463917 ], [ -7.773319454306226, 3.8635312375521917, 7.753466337929169 ], [ 0.0014308763597670193, -3.872322886170675, 3.8791751021443712 ], [ -3.891517104645928, -0.0005065305151621402, 7.759817588898025 ], [ 0.0017983579128101, -0.0019184995976017, -0.0018302739948134 ], [ -3.8890853463195163, 3.871993819702203, 3.8791065253235 ], [ -1.9335550685654614, -1.9364064396890188, 5.808025760030821 ], [ -5.821567219511615, 1.9371955971106765, 9.688387649413315 ], [ -1.9566824632722917, -1.9407778036392689, 1.9506774803715017 ], [ -5.8432294628237855, 1.9258468061246723, 5.8248474840616495 ], [ -1.9464633831259113, 1.9174172910750378, 5.821588335437183 ], [ -5.83083716948137, 5.7980730326246555, 9.697335841101147 ], [ -1.9441900722568235, -5.794614878381932, 1.9374841107118157 ], [ -5.834005746722565, -1.9350453652744362, 5.815839830891349 ], [ -5.831067999655004, 5.805101987187335, 5.816036839516237 ], [ -1.943590365883804, 1.9350801904909816, 1.9385975597831522 ], [ 1.952216180525072, -0.010292280424370298, 1.9322833150747345 ], [ -1.9458139460304256, 3.882059174803295, 5.826905911838452 ], [ -3.891946284410732, -1.9394215910000878, 1.9383911997200582 ], [ -7.779248349764211, 1.9306756389058672, 5.815685248393947 ], [ -1.9451257627865641, -1.9385789569218748, 3.8793513232043364 ], [ -5.832409731263072, 1.9315163470227819, 7.756648679285482 ], [ -1.9754069868694288, -3.87645039978305, 5.852004476696988 ], [ -5.860271189508403, -0.024743511228083825, 9.724228697272077 ], [ -1.914838001433426, -0.0007215342076802855, 1.9067142387072065 ], [ -5.804551005351037, 3.8877751218729077, 5.789053877459066 ], [ -1.9658936923675507, 0.002297964950692233, 5.844489790270749 ], [ -5.8484404698942924, 3.8571931399540205, 9.712608205367703 ], [ -1.9243412338175228, -3.879445725912152, 1.9142411862969944 ], [ -5.816396997801308, 0.005819019332948372, 5.800664432674683 ], [ -3.914513426900718, -1.9962510767012729, 5.8669120221435636 ], [ -7.79397233589575, 1.862382466095407, 9.734251869346762 ], [ 0.02427533324482911, -1.8809038864720375, 1.891797885977632 ], [ -3.870862009783358, 2.0006495276684944, 5.779012967771079 ], [ 1.993557364700537, -1.8756297794373478, 3.8481512961260016 ], [ -1.8927256769327536, 2.0087673919952134, 7.750875519204054 ], [ -5.8837779653494655, -2.001542909125721, 3.9105419014596117 ], [ -9.77212845469893, 1.8542895305060556, 7.762403232359914 ], [ -3.8988583500164555, -5.853491632131076, 1.9102486743114715 ], [ -7.799415256328708, -1.9775053582371598, 5.791706472603713 ], [ 0.008626377424936493, 1.9763325619604992, 5.848488397426386 ], [ -3.865396332727432, 5.840523810302941, 9.721555856505042 ], [ -1.9779019657551127, 1.981458364319475, 3.8762967072250554 ], [ -5.853676905980485, 5.841385662491424, 7.738152231377659 ], [ -1.9123259239152157, -5.858602708787901, 3.8824151439838532 ], [ -5.811155029573867, -1.9783586251398182, 7.775113422679654 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"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": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "La", "La", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "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" ]
2020-06-04 06:42:14
[ 0.04, 0.2, 0.6, 0.16 ]
[ [ -0.9270835, 0.17462211, -0.25272182 ], [ 0.174641, 4.23119923, -0.31656593 ], [ -0.2528062, -0.3171386, -0.20626509 ] ]
-355.270532
[ 0.008, 0.003, 0.008, 0.003, 0.007, 0.005, 0.007, 0.005, 0.021, 0.021, 3.391, 3.319, 3.391, 3.319, 3.282, 3.198, 3.282, 3.198, -2.932, 3.264, -0.058, -0.058, -0.064, -0.059, -0.066, -0.045, -0.062, -0.039, -0.062, -0.039, -0.044, -0.023, -0.044, -0.023, -0.046, -0.067, -0.046, -0.067, -0.042, -0.063, -0.042, -0.063, -0.05, -0.014, -0.05, -0.014, -0.047, -0.013, -0.047, -0.013 ]
[ [ 0.00699563, 0.01164679, -0.00323106 ], [ 0.00136881, 0.01331018, 0.00041222 ], [ -0.00833281, -0.01200039, 0.00484551 ], [ -0.00161639, -0.01308818, -0.00025627 ], [ -0.00468238, 0.00474507, 0.00535069 ], [ 0.00566631, -0.00064863, -0.005208 ], [ 0.00535562, -0.00533467, -0.0060259 ], [ -0.00691096, -0.00148856, 0.00635608 ], [ -0.00379046, 0.00117673, -0.00209318 ], [ 0.00408315, -0.00064989, 0.00144859 ], [ 0.0066607, 0.00218471, 0.00197717 ], [ 0.02264399, -0.02127998, -0.02520108 ], [ -0.0070906, -0.00226343, -0.00196981 ], [ -0.02526627, 0.02006192, 0.02825874 ], [ -0.00734322, 0.0298718, 0.03122382 ], [ 0.00916034, 0.00556333, 0.01215757 ], [ 0.01664247, -0.01304311, -0.04015843 ], [ -0.00866037, -0.00814275, -0.01313394 ], [ 0.00676178, 0.00146388, -0.00610266 ], [ -0.00523818, -0.00303775, 0.00443117 ], [ 0.0005408, -0.00028597, -0.01140506 ], [ -0.00102849, -0.00026722, 0.01184053 ], [ -0.00023998, -0.00028776, 0.00012104 ], [ -0.00004437, -0.00029213, 0.00002025 ], [ -0.00005872, -0.00027922, 0.00034473 ], [ -0.00000965, -0.00032535, -0.00036886 ], [ -0.01039458, 0.00206948, 0.00485017 ], [ -0.00668869, 0.02488505, -0.00322791 ], [ 0.01069507, -0.00230495, -0.00501264 ], [ 0.00609991, -0.02611437, 0.00392392 ], [ -0.01619928, 0.00453894, 0.02713053 ], [ -0.01257588, 0.01096218, 0.01400909 ], [ 0.01563212, -0.00540905, -0.02652726 ], [ 0.01259085, -0.01069663, -0.01396826 ], [ 0.00627731, 0.0038678, 0.01781866 ], [ 0.01700542, -0.00107106, 0.00236406 ], [ -0.00602985, -0.0044585, -0.01765149 ], [ -0.01894418, 0.0003071, -0.00152785 ], [ 0.0133889, 0.00311588, 0.02939548 ], [ 0.03543122, 0.00413773, 0.02355659 ], [ -0.01345425, -0.0036632, -0.02979959 ], [ -0.03606942, -0.00490594, -0.02180237 ], [ 0.00170275, -0.00114302, 0.00907379 ], [ 0.03168898, 0.00413071, -0.01677879 ], [ -0.00223967, 0.00058824, -0.00878689 ], [ -0.03280563, -0.00480398, 0.01746243 ], [ -0.00086133, 0.00291846, 0.00997294 ], [ -0.01477294, -0.0083499, 0.03351578 ], [ 0.00075767, -0.00355408, -0.00926047 ], [ 0.01419875, 0.00764367, -0.0323638 ] ]
25.43
3.883994
pbe
true
26a7b6036e9d1bac7e189a9aeda962a1_2_Sr8La2Mn10O30
[ "Be", "Ho", "Pt" ]
9
A5B2C2
Be2Ho2Pt5
Ho2 Be2 Pt5
3
[ 1, 1, 1 ]
3
[ [ 4.07373353, 0, 0 ], [ 0, 4.07373353, 0 ], [ 0, 0, 8.81816614 ] ]
agm005568121
[ [ 0, 0, 0 ], [ 0, 0, 4.40908307 ], [ 2.036866765, 2.036866765, 1.207511347661153 ], [ 2.036866765, 2.036866765, 7.610654792338848 ], [ 2.036866765, 0, 2.2515234896506606 ], [ 2.036866765, 0, 6.5666426503493405 ], [ 0, 2.036866765, 2.2515234896506606 ], [ 0, 2.036866765, 6.5666426503493405 ], [ 2.036866765, 2.036866765, 4.40908307 ] ]
[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Ho", "Ho", "Be", "Be", "Pt", "Pt", "Pt", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.2222222222222222, 0.2222222222222222, 0.5555555555555556 ]
[ [ 0.570641, 0, 0 ], [ 0, 0.570641, 0 ], [ 0, 0, 0.7566306 ] ]
-55.774954
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00569598 ], [ 0, 0, 0.00569598 ], [ 0, 0, 0.00362868 ], [ 0, 0, -0.00362868 ], [ 0, 0, 0.00362868 ], [ 0, 0, -0.00362868 ], [ 0, 0, 0 ] ]
0.00001
2.819025
pbe
true
05358a4cfa68533e348574def5ddb344_123_Ho2Be2Pt5
[ "Mg", "Mo", "Re" ]
4
A2BC
MgMoRe2
Mg1 Re2 Mo1
3
[ 1, 1, 1 ]
3
[ [ 2.71491307, -0.00747127, 0 ], [ -0.93965344, 2.54712783, 0 ], [ 0, 0, 9.14774757 ] ]
agm003969515
[ [ 0.8876298150000002, 1.26982828, 2.2869368925 ], [ 0.8876298150000002, 1.26982828, 6.8608106775 ], [ 0, 0, 9.066780947735406 ], [ 0, 0, 4.654840407264595 ] ]
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Mg", "Mo", "Re", "Re" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 7.7293468, -0.07026598, 0 ], [ -0.07026598, 7.6779423, 0 ], [ 0, 0, 7.1224794 ] ]
-36.618234
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00006184 ], [ 0, 0, 0.00006184 ] ]
-0.000028
2.26504
pbe
true
10cd31f0d41f2f945a5e626aa5091b86_65_Mg1Re2Mo1
[ "Mg", "Na", "Tc" ]
3
ABC
MgNaTc
Mg1 Na1 Tc1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.319576179, 3.319576179 ], [ 3.319576179, 0, 3.319576179 ], [ 3.319576179, 3.319576179, 0 ] ]
oqmd-4865033
[ [ 3.31958, 3.31958, 3.31958 ], [ 0, 0, 0 ], [ 1.6597899999999963, 1.6597899999999963, 1.6597899999999963 ] ]
[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
[ "Mg", "Na", "Tc" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 13.4262708, 0, 0 ], [ 0, 13.4262708, 0 ], [ 0, 0, 13.4262708 ] ]
-9.33289
[ -0.031, -0.008, 2.342 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.60063
null
pbe
true
fd5a8b2510fe0249b4a9b67c1041a3e3_216_Na1Mg1Tc1
[ "Mg", "Os", "P" ]
4
A2BC
Mg2OsP
Mg2 P1 Os1
3
[ 1, 1, 1 ]
3
[ [ 3.3983042, 0, 0 ], [ 0, 3.4038763, 0 ], [ 0, 0, 5.3240867 ] ]
agm004288146
[ [ 0, 0, 0.017721382303550998 ], [ 0, 0, 2.644321967696449 ], [ 1.6991521, 1.70193815, 1.331021675 ], [ 1.6991521, 1.70193815, 3.993065025 ] ]
[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
[ "Mg", "Mg", "Os", "P" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 3.0016038, 0, 0 ], [ 0, 2.7098804, 0 ], [ 0, 0, 3.1790607 ] ]
-19.608419
[ 0, 0, 0, 0 ]
[ [ 0, 0, -0.01286237 ], [ 0, 0, 0.01286237 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000144
2.953039
pbe
true
020a96ab3117705639115ba573030058_123_Mg2P1Os1
[ "La", "Mo", "O", "Te" ]
88
A35B6C2D
La2Mo6O35Te
La4 Mo12 O70 Te2
4
[ 1, 1, 1 ]
3
[ [ -10.246853, 0, 1.94544504 ], [ 0.23503429, 0, -10.47668143 ], [ 0, -13.7243874, 0 ] ]
mp-1227821
[ [ -9.709135464080685, -4.295940631693614, -4.020741004163238 ], [ -4.79459065393702, -2.585578103716578, 0.15646742838954897 ], [ -0.21131870106297962, -9.447771803716577, -4.422085623389548 ], [ -5.308592600919315, -11.158134331693613, -8.77611358083676 ], [ -4.990817034238543, -6.801317944492434, -4.233073845675401 ], [ -0.015092320761457199, -13.663511644492432, -0.0325443493245984 ], [ -7.338262342134831, -6.877591364711808, -1.8970282159030856 ], [ -2.1210605877095072, -0.02079381934974, -8.213568850008695 ], [ -2.649814477290493, -6.882987519349739, -6.528730774991305 ], [ -7.914500012865169, -0.015397664711808, -0.4231449390969144 ], [ -1.8276106110647223, -6.459325836358415, -3.3289074486159653 ], [ -6.884160212758644, -0.41061500584113597, -7.700965238392469 ], [ -8.133567852241354, -7.272808705841135, -5.095889346607528 ], [ -3.1782987439352777, -13.321519536358416, -0.9367107463840344 ], [ -4.162600337753329, -6.461722663373951, -0.9837435199652088 ], [ -9.217855606473835, -0.42373771609752, -5.361939179829926 ], [ -5.799872458526164, -7.28593141609752, -7.434915405170074 ], [ -0.843309017246672, -13.323916363373952, -3.281874675034791 ], [ -0.6851365747983058, -5.2625897232184435, -3.969730621478552 ], [ -5.779340306592917, -1.626881745714552, -8.379514648744646 ], [ -9.238387758407082, -8.489075445714553, -4.417339936255353 ], [ -4.320772780201694, -12.124783423218442, -0.29588757352144723 ], [ -3.1401066910118014, -3.183640518179166, -5.556681880667264 ], [ -8.342553514987381, -3.68495890239591, 0.8077743267839317 ], [ -6.9102088400126185, -10.54715260239591, -3.127947481783931 ], [ -1.6307683739881984, -10.045834218179165, -9.185617744332736 ], [ -7.8386792454119085, -5.553100967995691, -0.8586524630380148 ], [ -2.6579263810341125, -1.3449799463971979, -7.220830117983515 ], [ -2.1129486839658873, -8.207173646397198, -7.5214695070164845 ], [ -7.414083109588091, -12.415294667995692, -1.4615206919619848 ], [ -5.582044409146067, -5.654313109803479, -2.7431327675857755 ], [ -0.35679409083528824, -1.122006549259224, -9.086332834512985 ], [ -4.414080974164712, -7.9842002492592234, -5.655966790487015 ], [ -9.670717945853932, -12.516506809803479, 0.42295961258577597 ], [ -4.641127568821201, -4.986391367572908, -0.07226927272539407 ], [ -9.679075990067169, -1.9185765816611762, -4.466868147170162 ], [ -5.338652074932831, -8.780770281661177, -8.329986437829836 ], [ -0.36478178617879986, -11.848585067572907, -4.193348922274605 ], [ -3.2476933188465025, -7.440843105729162, 0.07833712197211151 ], [ -8.303469050749385, -13.18169149745487, -4.285677696988734 ], [ -6.714259014250614, -6.319497797454869, -8.511176888011265 ], [ -1.758216036153497, -0.578649405729162, -4.343955316972111 ], [ -8.244126839893031, -6.060053213240136, -3.454015396467923 ], [ -3.0133665062666366, -0.8472504894855539, -9.82054612855304 ], [ -1.757508558733363, -7.709444189485554, -4.921753496446959 ], [ -7.008635515106968, -12.922246913240135, 1.133842241467924 ], [ -3.4024695574642148, -5.751241184084358, -4.698106455011794 ], [ -8.71964183246241, -1.047220578146262, 1.3839341230636812 ], [ -6.533120522537589, -7.9094142781462615, -3.704107278063681 ], [ -1.3684055075357853, -12.613434884084358, -10.044193169988207 ], [ -7.2922590901160165, -3.610496964069462, -4.460312368619366 ], [ -2.4936405572363647, -3.22667278589637, -1.0898231920180887 ], [ -2.512268797763635, -10.08886648589637, -3.1757950029819106 ], [ -7.725468974883983, -10.47269066406946, -8.336542216380632 ], [ -8.346602320893252, -3.681313430614722, -1.7023238509027243 ], [ -3.3502379426322237, -3.278567165045502, -8.01233150713362 ], [ -1.4206371223677763, -10.140760865045502, -6.729968117866379 ], [ -6.906160034106747, -10.54350713061472, -0.6178493040972752 ], [ -0.49332999365868624, -4.026496596063113, -9.185930100830426 ], [ -6.4244263520351, -3.471195667154328, -2.598570573940232 ], [ -8.8283360029649, -10.333389367154329, 0.27839741894023273 ], [ -4.277545071341313, -10.888690296063114, -5.556369524169573 ], [ -2.6549775149261974, -5.497092840967284, -1.9025789609328352 ], [ -7.707795490587358, -1.33908641995989, -6.2986282270811325 ], [ -7.309932574412642, -8.20128011995989, -6.498226357918866 ], [ -2.350931840073802, -12.359286540967284, -2.363039234067164 ], [ -5.8153705674688325, -7.50210149715744, -0.9224678802771427 ], [ -0.6236743385527986, -13.111904497208483, -7.197509298739841 ], [ -4.147200726447201, -6.2497107972084835, -7.544790326260158 ], [ -9.437391787531167, -0.6399077971574401, -1.3977052747228569 ], [ -0.8838347004375955, -7.7382541490278856, -2.5462540603157526 ], [ -5.903020799346205, -12.867495528365945, -6.955613714116705 ], [ -9.114707265653795, -6.005301828365946, -5.841240870883294 ], [ -4.122074654562405, -0.876060449027886, -1.719364134684247 ], [ -6.225397164896932, -6.076262263735032, -5.572335765633536 ], [ -1.21780211249975, -0.69823026763311, -1.4174692965685989 ], [ -3.7881072425002498, -7.56042396763311, -2.848148898431401 ], [ -8.792330900103067, -12.938455963735032, -7.2245188193664625 ], [ -8.50305580459762, -8.198897840794997, -1.6526527672827942 ], [ -3.2990731250501177, -12.427394499659155, -8.008338761432062 ], [ -1.4718019399498825, -5.565200799659154, -6.733960863567937 ], [ -6.74970655040238, -1.3367041407949978, -0.6675203877172056 ], [ -9.091447645473746, -3.414069963259938, -0.11959854985114182 ], [ -3.959508213770055, -3.476870838588102, -6.420997488827961 ], [ -0.811366851229945, -10.339064538588103, -8.321302136172037 ], [ -6.161314709526252, -10.276263663259938, -2.2005746051488577 ], [ -0.21664541228567957, -4.82059568975757, -10.086933828644547 ], [ -4.55422965271432, -11.68278938975757, -4.655365796355452 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"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": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "La", "La", "La", "La", "Te", "Te", "Mo", "Mo", "Mo", "Mo", "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", "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" ]
2019-01-13 03:36:32
[ 0.045454545454545456, 0.13636363636363635, 0.7954545454545454, 0.022727272727272728 ]
[ [ -0.46577919, 0, -0.05872854 ], [ 0, -0.46396144, 0 ], [ -0.05872845, 0, 0.0190279 ] ]
-550.045411
[ -0.004, -0.013, -0.013, -0.004, -0.001, -0.001, 0.038, 0.041, 0.041, 0.038, -0.001, -0.005, -0.005, -0.001, 0, 0.005, 0.005, 0, 0.019, 0.007, 0.007, 0.019, 0.413, 0.473, 0.473, 0.413, 0.181, 0.12, 0.12, 0.181, 0.164, 0.015, 0.015, 0.164, 0.013, 0.018, 0.018, 0.013, 0.008, 0.005, 0.005, 0.008, 0.02, 0.019, 0.019, 0.02, 0.029, 0.048, 0.048, 0.029, 1.265, 1.4, 1.4, 1.265, 0.745, 0.709, 0.709, 0.745, 0.786, 1.526, 1.526, 0.786, 0.089, 0.01, 0.01, 0.089, 0.037, 0.027, 0.027, 0.037, 0.032, 0.005, 0.005, 0.032, 0.02, 0.067, 0.067, 0.02, 0.017, 0.008, 0.008, 0.017, 0.372, 0.325, 0.325, 0.372, 0.824, 0.824 ]
[ [ -0.00267878, -0.01374124, 0.01371728 ], [ 0.01442554, 0.00913626, 0.0082095 ], [ -0.01442554, 0.00913626, -0.0082095 ], [ 0.00267878, -0.01374124, -0.01371728 ], [ 0.00523225, -0.00097911, 0.00074613 ], [ -0.00523225, -0.00097911, -0.00074613 ], [ 0.02573971, -0.03439232, -0.01391747 ], [ 0.0268997, 0.02236079, -0.02727087 ], [ -0.0268997, 0.02236079, 0.02727087 ], [ -0.02573971, -0.03439232, 0.01391747 ], [ -0.02421035, 0.01268625, -0.00144806 ], [ -0.03001165, -0.00534316, -0.01774295 ], [ 0.03001165, -0.00534316, 0.01774295 ], [ 0.02421035, 0.01268625, 0.00144806 ], [ 0.00154451, 0.01560761, -0.02555357 ], [ -0.0025278, -0.01499961, -0.03678798 ], [ 0.0025278, -0.01499961, 0.03678798 ], [ -0.00154451, 0.01560761, 0.02555357 ], [ -0.00804279, 0.00549536, 0.00477866 ], [ -0.01848668, -0.00530326, -0.00337949 ], [ 0.01848668, -0.00530326, 0.00337949 ], [ 0.00804279, 0.00549536, -0.00477866 ], [ -0.15072047, 0.0361585, -0.05324743 ], [ -0.1414656, -0.01039077, -0.08257869 ], [ 0.1414656, -0.01039077, 0.08257869 ], [ 0.15072047, 0.0361585, 0.05324743 ], [ -0.01036096, -0.04080559, -0.00125445 ], [ -0.0033995, 0.02060145, -0.02867742 ], [ 0.0033995, 0.02060145, 0.02867742 ], [ 0.01036096, -0.04080559, 0.00125445 ], [ -0.00277326, -0.02290194, 0.00029985 ], [ -0.00236815, 0.02739642, -0.01894101 ], [ 0.00236815, 0.02739642, 0.01894101 ], [ 0.00277326, -0.02290194, -0.00029985 ], [ 0.00680165, 0.01098947, -0.02775613 ], [ 0.01126561, -0.00503683, -0.03209462 ], [ -0.01126561, -0.00503683, 0.03209462 ], [ -0.00680165, 0.01098947, 0.02775613 ], [ 0.00232498, 0.04563264, 0.00312563 ], [ -0.00327966, -0.03050713, -0.02500686 ], [ 0.00327966, -0.03050713, 0.02500686 ], [ -0.00232498, 0.04563264, -0.00312563 ], [ 0.0008079, -0.03908051, 0.01151479 ], [ 0.00531164, 0.03982649, -0.00910513 ], [ -0.00531164, 0.03982649, 0.00910513 ], [ -0.0008079, -0.03908051, -0.01151479 ], [ -0.00777622, -0.01050022, 0.01037809 ], [ -0.00952301, 0.01426422, -0.00544341 ], [ 0.00952301, 0.01426422, 0.00544341 ], [ 0.00777622, -0.01050022, -0.01037809 ], [ -0.05698575, -0.002194, 0.02177685 ], [ -0.00959146, 0.02131221, -0.04321217 ], [ 0.00959146, 0.02131221, 0.04321217 ], [ 0.05698575, -0.002194, -0.02177685 ], [ 0.03353691, -0.04488156, -0.0393439 ], [ 0.00702043, 0.0494279, -0.06300903 ], [ -0.00702043, 0.0494279, 0.06300903 ], [ -0.03353691, -0.04488156, 0.0393439 ], [ 0.00300827, -0.01554494, -0.0336675 ], [ -0.01745573, -0.02686066, 0.01060653 ], [ 0.01745573, -0.02686066, -0.01060653 ], [ -0.00300827, -0.01554494, 0.0336675 ], [ 0.00290289, -0.01448605, -0.01091297 ], [ -0.00280682, 0.02194511, -0.02800428 ], [ 0.00280682, 0.02194511, 0.02800428 ], [ -0.00290289, -0.01448605, 0.01091297 ], [ 0.02348031, 0.02488634, -0.01544267 ], [ 0.01613248, -0.03031868, -0.02808042 ], [ -0.01613248, -0.03031868, 0.02808042 ], [ -0.02348031, 0.02488634, 0.01544267 ], [ 0.00103401, 0.02606041, -0.02134488 ], [ -0.00605423, -0.01682429, -0.03689247 ], [ 0.00605423, -0.01682429, 0.03689247 ], [ -0.00103401, 0.02606041, 0.02134488 ], [ 0.00018622, -0.02612688, 0.01550209 ], [ -0.0080102, 0.03511405, -0.00735711 ], [ 0.0080102, 0.03511405, 0.00735711 ], [ -0.00018622, -0.02612688, -0.01550209 ], [ 0.02684082, -0.02389758, -0.01108691 ], [ 0.02792649, 0.00853477, -0.01663571 ], [ -0.02792649, 0.00853477, 0.01663571 ], [ -0.02684082, -0.02389758, 0.01108691 ], [ 0.04286171, -0.01353717, 0.02268232 ], [ -0.03682265, 0.00695129, -0.06933629 ], [ 0.03682265, 0.00695129, 0.06933629 ], [ -0.04286171, -0.01353717, -0.02268232 ], [ -0.02176953, -0.00573406, 0.01636492 ], [ 0.02176953, -0.00573406, -0.01636492 ] ]
19.752
0.046882
pbe
true
4fc2b90a40a2567180778a5aa1501258_4_La4Te2Mo12O70
[ "La", "N", "Nb", "O" ]
44
A5B2C2D2
La2N2Nb2O5
La8 N8 Nb8 O20
4
[ 1, 1, 1 ]
3
[ [ 8.06579184, 0.00544923, 0.01037076 ], [ -2.02676882, 13.60986557, -0.05858716 ], [ 0.00731214, -0.02349696, 5.70173067 ] ]
mp-778375
[ [ -0.0651795199146544, 7.763055478959046, 1.9124973638728238 ], [ -0.012315409464895425, 12.278229770502367, 4.218619477403127 ], [ 2.00111680483512, 1.633704317025093, 1.45976034198991 ], [ 1.9996052577872507, 5.24026858257129, 4.3233367769922 ], [ 4.11533025076219, 8.366244901105933, 1.5567471279991643 ], [ 4.054780225979065, 11.891549054448932, 4.235484615895036 ], [ 6.075020218117813, 1.2652568254085028, 1.5389569862789756 ], [ 6.064025313583207, 5.872096987788719, 4.694540402226081 ], [ -0.11694420263441829, 4.286148988069246, 1.4303872467750298 ], [ -0.0764438290880736, 1.35952560633054, 4.265472547681199 ], [ 1.867214619812952, 9.150118413846164, 4.441900748398224 ], [ 2.150981735547043, 12.01210637643627, 1.4266637132543138 ], [ 4.0781736347136945, 1.5925857267590453, 4.38232770177239 ], [ 4.0907410250785485, 4.4129811475205925, 1.5861722994137484 ], [ 6.018981852832401, 11.966359466152117, 1.362346967751714 ], [ 6.110344635365217, 9.147384855845148, 4.479443130320757 ], [ 0.04408643973370958, 9.482465213576116, 3.9018690377353025 ], [ 3.9934314800061466, 12.42716383899255, 0.9952483271728692 ], [ 5.76370561316602, 13.448170413174422, 3.07199019038573 ], [ 5.874980271153432, 7.755053997091755, 3.1692129671396336 ], [ 6.009896794616392, 1.5138097229511036, 4.687231533945072 ], [ 6.045496246892805, 4.145761846123368, 1.1242398858855793 ], [ 6.2090533608093725, 11.197173934106948, 5.326455229025251 ], [ 6.173156224434833, 7.988193140382522, 0.2654969527453029 ], [ -0.08446001594371232, 5.514027273362613, 3.0547340928476383 ], [ -0.14078055192655806, 2.5403038609100506, 2.582592235880855 ], [ -0.001443260108450135, 12.20954803106885, 1.7727337629241695 ], [ 0.21911339852854353, 5.829383360733344, 0.2720870174664137 ], [ 0.3214843528615522, 0.3412382606223761, 0.2591810432186042 ], [ 0.5395468079316956, 3.07975653076461, 5.593912443426612 ], [ 1.8003965142595015, 8.338844924892186, 0.4200890758221018 ], [ 1.8378709172088787, 11.170257093975465, 5.329951081968152 ], [ 2.050679192066108, 1.2132126875753573, 3.8675849368993354 ], [ 2.079189386839273, 4.113325300345432, 2.0276522419306584 ], [ 2.173050026913568, 7.584841484113206, 3.302640094392666 ], [ 2.2900138687633214, 13.353833565888468, 2.994627048729514 ], [ 2.481719192155724, 10.514117578996169, 2.576596099848891 ], [ 3.5570313896912436, 3.091140068476642, 5.501463226847039 ], [ 3.6863748610660947, 0.3072997900470839, 0.18570430007231298 ], [ 3.844192407150581, 5.926189305555819, 0.42473430764115244 ], [ 4.001205033939077, 9.503454293222354, 4.810051549780632 ], [ 4.189391425269773, 2.4171457629568596, 2.5166497289686967 ], [ 4.2049146379970725, 5.237779353042035, 3.277902446824976 ], [ 5.499074810264422, 10.543923623488421, 2.5240451519312845 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "La", "La", "La", "La", "La", "La", "La", "La", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "N", "N", "N", "N", "N", "N", "N", "N", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-23 11:58:16
[ 0.18181818181818182, 0.18181818181818182, 0.18181818181818182, 0.45454545454545453 ]
[]
-395.330285
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
5.165446
pbe
true
25568a05d1f511699f24563f6389fadc_1_La8Nb8N8O20
[ "Er", "Sc", "Sm" ]
3
ABC
ErScSm
Sm1 Er1 Sc1
3
[ 1, 1, 1 ]
3
[ [ 3.49382902, 0, 0 ], [ 1.74691451, 3.02574468, 0 ], [ 1.74691451, 1.00858156, 8.33604354 ] ]
agm001050150
[ [ 1.7469127805546352, 1.0085805615042556, 0.190308956402961 ], [ 3.493830749445365, 2.0171641184957445, 2.9255955835621483 ], [ 1.74691625691451, 1.00858256858156, 5.58596627078779 ] ]
[{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Sm", "Sc", "Er" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 1.2654694, 0, 0 ], [ 0, 1.2654694, 0 ], [ 0, 0, 1.144601 ] ]
-15.538535
[ 0, 0, 0 ]
[ [ 0, 0, 0.00204392 ], [ 0, 0, 0.00395239 ], [ 0, 0, -0.00599631 ] ]
0.000006
4.009243
pbe
true
84c03cdab93ac304e9d0b527796e88b1_160_Sm1Er1Sc1
[ "Ge", "Li", "N" ]
5
A3BC
GeLi3N
Li3 Ge1 N1
3
[ 1, 1, 1 ]
3
[ [ 3.96941057, 0, 0 ], [ 0, 3.96941057, 0 ], [ 0, 0, 3.96941057 ] ]
agm002509142
[ [ 1.984705285, 1.984705285, 1.984705285 ], [ 0, 1.984705285, 0 ], [ 0, 0, 1.984705285 ], [ 1.984705285, 0, 0 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Ge", "Li", "Li", "Li", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.2 ]
[ [ 2.5085557, 0, 0 ], [ 0, 2.5085557, 0 ], [ 0, 0, 2.5085557 ] ]
-18.822931
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000001
2.185416
pbe
true
179e902605704b4e7d8d466876d8f56e_221_Li3Ge1N1
[ "Hg", "In", "P" ]
3
ABC
HgInP
In1 Hg1 P1
3
[ 1, 1, 1 ]
3
[ [ 4.04040781, 0, 0 ], [ -2.02020391, 3.49909581, 0 ], [ 0, 0, 5.0266197 ] ]
agm004211754
[ [ 0, 0, 4.894610161042827 ], [ 2.020203923535372, 1.1663652583363473, 1.9579081337118271 ], [ -2.3535372778071556e-8, 2.3327305516636527, 3.200721105245346 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Hg", "In", "P" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 4.4653535, 0, 0 ], [ 0, 4.4653535, 0 ], [ 0, 0, 4.1728425 ] ]
-8.161913
[ 0, 0, 0 ]
[ [ 0, 0, 0.00195355 ], [ 0, 0, -0.00123446 ], [ 0, 0, -0.00071909 ] ]
0
0.406728
pbe
true
35235b01f94328e1eb0c9f90227b52bd_156_In1Hg1P1
[ "La", "N", "Nd", "Zn" ]
5
A2BCD
La2NNdZn
La2 Nd1 Zn1 N1
4
[ 1, 1, 1 ]
3
[ [ 5.06820356, 0, -1e-8 ], [ 1.7e-7, 5.06816473, -0.00001809 ], [ 9e-8, 0.00017808, 5.02110997 ] ]
agm004989280
[ [ 5.068203594319724, 2.5340524682933685, 0.0001450429717104 ], [ 2.5341018993180846, 5.068054657005534, 0.0001945996112441 ], [ 3.670495222e-7, 5.068195446053553, 2.510836605262325 ], [ 2.534101403178176, 2.53434801591335, 2.5101335003966287 ], [ 5.461351723e-7, 0.0002199847114691, 5.020855901685913 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "La", "La", "Nd", "Zn", "N" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 0.31810376, 1e-8, 0 ], [ 1e-8, 0.3180989, -0.00000214 ], [ 0, -0.00000214, -0.02837888 ] ]
-27.430734
[ 0, 0, 0, 0, 0 ]
[ [ 0, -1e-8, -0.00017608 ], [ 0, -1e-8, -0.00017608 ], [ 0, -1e-7, -0.00285421 ], [ 0, 0, 0.00007372 ], [ 0, 1.1e-7, 0.00313266 ] ]
-0.000029
4.950155
pbe
true
25a039b32199fcc411a7b42d3226f1f1_123_La2Nd1Zn1N1
[ "La", "N", "Ni", "P" ]
10
A2BCD
La2NNiP
La4 Ni2 P2 N2
4
[ 1, 1, 1 ]
3
[ [ 3.94825558, 0, 0 ], [ 0, 6.38630453, 0.13380579 ], [ 0, -2.58465137, 7.70243445 ] ]
agm005002238
[ [ 2.961191685, 3.46353201391886, 4.8080450905177825 ], [ 2.961191685, 4.853777630990817, 0.3816593323693083 ], [ 0.987063895, 0.3381211460811399, 3.028195149482218 ], [ 0.987063895, -1.0521244709908164, 7.454580907630692 ], [ 0.987063895, 1.4195521122858046, 5.844613404233256 ], [ 2.961191685, 2.3821010477141957, 1.9916268357667448 ], [ 0.987063895, 3.5253357712523914, 2.436042022057883 ], [ 2.961191685, 0.2763173887476093, 5.400198217942117 ], [ 0.987063895, 3.2238824972971005, 6.520314320310677 ], [ 2.961191685, 0.5777706627028993, 1.3159259196893234 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "La", "La", "La", "La", "Ni", "Ni", "P", "P", "N", "N" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ -0.37770674, 0, 0 ], [ 0, -0.09358273, -0.04090596 ], [ 0, -0.040906, -0.11804476 ] ]
-70.695264
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.0043501, -0.00331297 ], [ 0, 0.00029135, 0.00231258 ], [ 0, 0.0043501, 0.00331297 ], [ 0, -0.00029135, -0.00231258 ], [ 0, 0.00145425, -0.00047858 ], [ 0, -0.00145425, 0.00047858 ], [ 0, -0.00224365, -0.00186609 ], [ 0, 0.00224365, 0.00186609 ], [ 0, 0.00283859, -0.00036514 ], [ 0, -0.00283859, 0.00036514 ] ]
-0
2.954796
pbe
true
d0cda6e8189b4aac02610afcc933cd05_11_La4Ni2P2N2
[ "La", "N", "O", "Pb" ]
98
A33B8C7D
LaN7O33Pb8
La2 N14 O66 Pb16
4
[ 1, 1, 1 ]
3
[ [ 0.01168427, 0, 9.72172967 ], [ -11.44050674, 0, 4.32094873 ], [ -5.72025337, -14.79434941, 2.16047436 ] ]
mp-1196738
[ [ -5.160505027229918, -11.080276516085567, 3.762131764808288 ], [ -10.874916262229918, -3.714072893914435, 10.783470967297822 ], [ -13.067405315941366, -10.687292141498817, 10.049909065616449 ], [ -7.3529940809413645, -4.107057268501182, 3.02856986784035 ], [ -8.524608804922607, -10.69141340341396, 5.704147247346162 ], [ -2.7985131855175407, -4.102936006586039, 8.404537676363361 ], [ -7.589104769955567, -14.239537044391968, 4.336414346375555 ], [ -1.863009264955566, -0.5548123656080325, 7.036804821000539 ], [ -8.854803700734855, -11.514455016886988, 11.694104170092633 ], [ -3.1403924657348545, -3.2798943931130133, 4.672764972875641 ], [ -13.306381585123717, -11.333879034519374, 6.494639186885077 ], [ -7.580286080123717, -3.4604703754806265, 9.195029659546027 ], [ -14.408932617001323, -7.882888138423204, 7.5443589351794715 ], [ -8.682837112001325, -6.911461271576797, 10.244749405507783 ], [ -14.390670999729302, -14.159883823338046, 9.57490470000449 ], [ -8.664575494729304, -0.6344655866619547, 12.275295174575634 ], [ -4.561973311663182, -9.186676870165991, 9.856579666101698 ], [ -10.28806893106825, -5.6076725398340095, 7.156189240520769 ], [ -4.008661405283647, -0.9946319518394873, 10.02922513097356 ], [ -9.734756910283647, -13.799717458160513, 7.328834656645865 ], [ -5.059940371525176, -13.049527067713173, 8.465503366816165 ], [ -10.786035876525176, -1.7448223422868263, 5.765112900636781 ], [ -14.26972362523911, -7.881978581821478, 11.491435128661598 ], [ -8.555312390239111, -6.912370828178523, 4.470095928989293 ], [ -7.3419812541732234, -10.545175993687923, 8.897596854540247 ], [ -13.068076759173223, -4.249173416312078, 6.1972063866680855 ], [ -6.754156958564102, -1.4959685141266397, 5.599785221362698 ], [ -12.468568193564103, -13.29838089587336, 12.621124417373872 ], [ -5.300209389305294, -5.7681995157681785, 5.939492623791267 ], [ -11.014620624305293, -9.026149894231821, 12.960831822690187 ], [ -10.740261157106113, -8.938562315645822, 7.807598504312517 ], [ -5.014165652106114, -5.855787094354178, 10.507988975354392 ], [ -6.9366922628943986, -12.647805150364881, 2.693845531436711 ], [ -1.2105968722994667, -2.1465442596351196, 5.394236048195277 ], [ -13.932022710363222, -9.143945611047618, 5.557558598763744 ], [ -8.20592720536322, -5.650403798952383, 8.257949069944445 ], [ -9.055251038044082, -12.463629702785815, 4.115758758200075 ], [ -3.32915564744915, -2.330719707214186, 6.81614927483415 ], [ -15.50064011416385, -11.038547574139718, 15.502272178767244 ], [ -9.786228993568919, -3.7558018358602814, 8.480933024438059 ], [ -7.13929232719758, -10.139825762146828, 10.119476802125375 ], [ -12.865387717792512, -4.654523647853174, 7.419086290769736 ], [ -4.891412176868559, -8.965453560737897, 2.4462906096964705 ], [ -10.60582341186856, -5.8288958492621035, 9.467629810756524 ], [ -12.979871419559228, -12.60520570889975, 8.572273947810332 ], [ -7.253775914559227, -2.1891437011002504, 11.272664421330619 ], [ -7.615734492281109, -10.36167294928954, 3.558140700032168 ], [ -1.8896388728760414, -4.43267646071046, 6.258531128826486 ], [ -6.815177304495372, -12.207447493645384, 5.284613755329677 ], [ -1.0890817994953716, -2.5869019163546163, 7.985004228581103 ], [ -5.623230930459801, -9.232738041449567, 5.387601547201887 ], [ -11.337642165459803, -5.561611368550433, 12.408940748442605 ], [ -14.97573680551691, -11.951761043153683, 9.990478619789092 ], [ -9.249641300516908, -2.8425883668463174, 12.69086909286769 ], [ -15.249616647287688, -13.133899686228887, 7.742965620156781 ], [ -9.52352114228769, -1.660449723771114, 10.443356094034428 ], [ -3.21758797757442, -7.020721980274469, 7.998286828521986 ], [ -8.94368348257442, -7.773627429725531, 5.297896358267529 ], [ -14.574622291592675, -9.127626555987423, 11.71348237481148 ], [ -8.860211056592673, -5.666722854012577, 4.692143175981152 ], [ -4.3138340335828005, -0.8365313971520518, 11.236490643314946 ], [ -10.0399295385828, -13.957818012847948, 8.536100168880386 ], [ -4.589380136338915, -1.844667187302505, 9.30839014878621 ], [ -10.315475641338915, -12.949682222697497, 6.607999675033083 ], [ -3.068762729480423, -0.26490969174437745, 9.531016739983626 ], [ -8.794858234480424, -14.529439718255622, 6.830626265162685 ], [ -5.3831701192990025, -13.812523594953303, 7.51420021909757 ], [ -11.109265624299004, -0.9818258150466972, 4.813809753433921 ], [ -16.532714903250636, -13.506681932865797, 13.980984289259277 ], [ -10.818303668250634, -1.287667477134204, 6.9596450933889 ], [ -4.720715278428273, -11.863951253439547, 8.257050501887555 ], [ -10.44681078342827, -2.930398156560455, 5.5566600349068 ], [ -7.998715459623274, -11.595985197050556, 8.696109067233945 ], [ -2.2843041102182067, -3.1983642129494445, 1.6747698268625741 ], [ -6.863589850150966, -9.860008248332475, 7.961228196366463 ], [ -12.589685355150968, -4.9343411616675255, 5.260837728031174 ], [ -13.601926318741953, -7.601282727482654, 10.468070612237877 ], [ -7.887515198147019, -7.193066682517347, 3.4467314555853266 ], [ -14.155837568938427, -10.048050642960327, 8.18284776381934 ], [ -8.429742063938427, -4.746298767039673, 10.883238235611158 ], [ -6.378588040444036, -1.5267595497231905, 6.792253709701995 ], [ -12.09299916103897, -13.26758986027681, 13.813592862524493 ], [ -6.090222398052978, -2.0226534188058976, 4.6644204057857594 ], [ -11.804633633052978, -12.771695991194104, 11.685759602152938 ], [ -7.864202191656477, -0.8993659579662039, 5.303288815092925 ], [ -13.578613541061546, -13.894983452033797, 12.324628053910324 ], [ -5.980585209291059, -6.756703352195056, 6.31215526711727 ], [ -11.694996444291059, -8.037646057804944, 13.333494466684353 ], [ -5.249021411856867, -4.726834285351419, 6.656784876842667 ], [ -10.963432646856866, -10.067515124648581, 13.678124075037694 ], [ -4.670448860830349, -5.7996091031135615, 4.835491244630477 ], [ -10.384860095830348, -8.99474030688644, 11.85683044355063 ], [ -9.555513892191906, -8.637700135682733, 8.1058185546778 ], [ -3.8294183871919065, -6.156649274317267, 10.806209025516313 ], [ -11.067827179098078, -10.160334576959933, 7.689043000687697 ], [ -5.341731559693012, -4.634014833040068, 10.389433429345923 ], [ -11.60182114241466, -8.017659631469504, 7.614538692506182 ], [ -5.875725637414662, -6.776689778530495, 10.314929162925589 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]
[ "La", "La", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "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" ]
2019-01-12 01:51:11
[ 0.02040816326530612, 0.14285714285714285, 0.673469387755102, 0.16326530612244897 ]
[ [ -2.70013831, 0, -0.0442932 ], [ 0, -1.58760741, 0 ], [ -0.04429323, 0, -2.00143801 ] ]
-561.84809
[ -0.027, -0.026, 0.011, 0.01, -0.01, -0.011, 0.002, 0.003, 0.009, 0.009, 0.09, 0.091, 0.007, 0.006, 0.067, 0.062, 0.093, 0.094, -0.007, -0.007, -0.012, -0.012, -0.004, -0.004, -0.001, -0.002, -0.005, -0.005, -0.013, -0.013, -0.003, -0.003, 0.694, 0.696, 0.724, 0.727, 0.705, 0.706, 0.708, 0.712, 0.03, 0.03, 0.655, 0.654, 0.749, 0.744, 0.681, 0.682, 0.654, 0.655, 1.172, 1.172, 0.654, 0.65, 0.762, 0.754, 0.009, 0.011, 0.094, 0.094, 0.078, 0.078, 0.095, 0.093, 0.052, 0.046, 0.094, 0.149, 0.107, 0.156, 0.104, 0.156, 0.01, 0.011, 0.023, 0.024, 0.033, 0.033, 0.146, 0.145, 0.05, 0.053, 0.04, 0.04, 0.089, 0.089, 0.201, 0.203, 0.098, 0.098, 0.08, 0.08, 0.021, 0.02, 0.043, 0.04, 0.047, 0.044 ]
[ [ -0.0026806, 0.01685099, -0.01272477 ], [ -0.0026806, -0.01685099, -0.01272477 ], [ -0.12077944, -0.04123944, 0.09786514 ], [ -0.12077944, 0.04123944, 0.09786514 ], [ 0.11358442, 0.09300656, 0.01863635 ], [ 0.11358442, -0.09300656, 0.01863635 ], [ -0.00098511, 0.02129217, 0.0044335 ], [ -0.00098511, -0.02129217, 0.0044335 ], [ 0.11780276, -0.01470629, 0.03873064 ], [ 0.11780276, 0.01470629, 0.03873064 ], [ -0.07046125, 0.04885333, 0.05908851 ], [ -0.07046125, -0.04885333, 0.05908851 ], [ -0.05009807, -0.00757348, -0.07996628 ], [ -0.05009807, 0.00757348, -0.07996628 ], [ -0.09139165, -0.03088429, -0.02766118 ], [ -0.09139165, 0.03088429, -0.02766118 ], [ -0.0097839, -0.07664277, 0.04117772 ], [ -0.0097839, 0.07664277, 0.04117772 ], [ -0.06244264, -0.04706568, -0.01482966 ], [ -0.06244264, 0.04706568, -0.01482966 ], [ -0.03215386, -0.11182606, 0.03792267 ], [ -0.03215386, 0.11182606, 0.03792267 ], [ -0.09967939, 0.05782877, 0.19637354 ], [ -0.09967939, -0.05782877, 0.19637354 ], [ 0.02073569, 0.03728377, 0.06169584 ], [ 0.02073569, -0.03728377, 0.06169584 ], [ -0.01383924, 0.0211055, 0.10586503 ], [ -0.01383924, -0.0211055, 0.10586503 ], [ 0.02363102, 0.07255708, 0.02178553 ], [ 0.02363102, -0.07255708, 0.02178553 ], [ 0.07289227, 0.0895102, 0.01716249 ], [ 0.07289227, -0.0895102, 0.01716249 ], [ 0.05475592, 0.01033547, 0.05151583 ], [ 0.05475592, -0.01033547, 0.05151583 ], [ 0.01669244, 0.00343757, -0.01967457 ], [ 0.01669244, -0.00343757, -0.01967457 ], [ 0.02922339, 0.05813051, 0.04123591 ], [ 0.02922339, -0.05813051, 0.04123591 ], [ 0.01007981, -0.01259307, 0.03372214 ], [ 0.01007981, 0.01259307, 0.03372214 ], [ 0.0435273, -0.0268722, 0.00453226 ], [ 0.0435273, 0.0268722, 0.00453226 ], [ -0.02294215, -0.02099054, 0.00467225 ], [ -0.02294215, 0.02099054, 0.00467225 ], [ -0.0147995, 0.02398619, 0.01264255 ], [ -0.0147995, -0.02398619, 0.01264255 ], [ 0.06780964, -0.02535991, 0.00496543 ], [ 0.06780964, 0.02535991, 0.00496543 ], [ 0.05238218, 0.00147955, -0.0247231 ], [ 0.05238218, -0.00147955, -0.0247231 ], [ -0.11990263, 0.02020262, -0.1417736 ], [ -0.11990263, -0.02020262, -0.1417736 ], [ -0.08196684, -0.03013538, 0.03563271 ], [ -0.08196684, 0.03013538, 0.03563271 ], [ 0.1003529, 0.1135525, -0.05659003 ], [ 0.1003529, -0.1135525, -0.05659003 ], [ -0.00622804, -0.11933983, -0.13447862 ], [ -0.00622804, 0.11933983, -0.13447862 ], [ 0.03440145, -0.07728462, 0.04122617 ], [ 0.03440145, 0.07728462, 0.04122617 ], [ 0.00965759, 0.01181791, -0.03942426 ], [ 0.00965759, -0.01181791, -0.03942426 ], [ 0.09919788, 0.05687938, 0.06240756 ], [ 0.09919788, -0.05687938, 0.06240756 ], [ -0.01497462, -0.01964444, 0.00799942 ], [ -0.01497462, 0.01964444, 0.00799942 ], [ 0.02620898, -0.09768417, -0.08093198 ], [ 0.02620898, 0.09768417, -0.08093198 ], [ 0.08125598, -0.03503017, 0.0286114 ], [ 0.08125598, 0.03503017, 0.0286114 ], [ 0.05827901, 0.14471239, -0.0826744 ], [ 0.05827901, -0.14471239, -0.0826744 ], [ -0.06836358, 0.01383133, 0.01774792 ], [ -0.06836358, -0.01383133, 0.01774792 ], [ 0.03403061, -0.01175645, -0.0865186 ], [ 0.03403061, 0.01175645, -0.0865186 ], [ 0.00390526, -0.05842154, -0.0393569 ], [ 0.00390526, 0.05842154, -0.0393569 ], [ -0.0263523, 0.03217419, 0.07806257 ], [ -0.0263523, -0.03217419, 0.07806257 ], [ -0.08494698, -0.051878, -0.04770761 ], [ -0.08494698, 0.051878, -0.04770761 ], [ -0.00380981, -0.03160073, -0.03294529 ], [ -0.00380981, 0.03160073, -0.03294529 ], [ 0.02590614, 0.04118411, -0.02437215 ], [ 0.02590614, -0.04118411, -0.02437215 ], [ 0.05712838, -0.11765441, -0.0095601 ], [ 0.05712838, 0.11765441, -0.0095601 ], [ -0.01846766, -0.08174397, 0.02692638 ], [ -0.01846766, 0.08174397, 0.02692638 ], [ 0.02723463, 0.07584192, -0.08949439 ], [ 0.02723463, -0.07584192, -0.08949439 ], [ -0.09164489, -0.00152568, 0.01643438 ], [ -0.09164489, 0.00152568, 0.01643438 ], [ -0.0770643, -0.01814472, 0.02681493 ], [ -0.0770643, 0.01814472, 0.02681493 ], [ 0.00508282, 0.05606278, -0.15047929 ], [ 0.00508282, -0.05606278, -0.15047929 ] ]
19.936
0.691375
pbe
true
c86bdfdaa1130fc85de8916906d740a3_9_La2Pb16N14O66
[ "Ge", "La", "Ni" ]
11
A5B4C2
Ge4La2Ni5
La2 Ni5 Ge4
3
[ 1, 1, 1 ]
3
[ [ 5.61303048, 0, 0 ], [ 2.80651524, 4.93184833, 0 ], [ 2.80651524, 0, 6.83369012 ] ]
agm003365205
[ [ 5.61303048, 0, 1.9083641389427863 ], [ 2.80651524, 0, 4.925325981057213 ], [ 2.80651524, 0, 0 ], [ 1.40325762, 2.465924165, 0 ], [ 4.20977286, 2.465924165, 0 ], [ 4.20977286, 2.465924165, 3.41684506 ], [ 7.0162881, 2.465924165, 3.41684506 ], [ 5.61303048, 1.530444417133388, 5.064203853531617 ], [ 5.61303048, 3.4014039128666123, 1.7694862664683828 ], [ 2.80651524, 1.530444417133388, 1.7694862664683828 ], [ 8.41954572, 3.4014039128666123, 5.064203853531617 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]
[ "La", "La", "Ni", "Ni", "Ni", "Ni", "Ni", "Ge", "Ge", "Ge", "Ge" ]
2023-11-16 06:57:59
[ 0.36363636363636365, 0.18181818181818182, 0.45454545454545453 ]
[ [ -4.2062035, 0, 0 ], [ 0, -4.170171, 0 ], [ 0, 0, -4.0203853 ] ]
-63.285113
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.00011615 ], [ 0, 0, 0.00011615 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00144928, 0.00071913 ], [ 0, 0.00144928, -0.00071913 ], [ 0, -0.00144928, -0.00071913 ], [ 0, 0.00144928, 0.00071913 ] ]
-0.000007
10.55686
pbe
true
dec7c3f2902bdd53c629088e387ed433_69_La2Ni5Ge4
[ "Hg", "Li", "Sm" ]
4
A2BC
Hg2LiSm
Li1 Sm1 Hg2
3
[ 1, 1, 1 ]
3
[ [ 3.55414566, 0, 0 ], [ 0, 5.25086362, 0 ], [ 0, 0, 5.25086362 ] ]
agm001212535
[ [ 0, 0, 2.62543181 ], [ 0, 2.62543181, 0 ], [ 1.77707283, 2.62543181, 2.62543181 ], [ 1.77707283, 0, 0 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Hg", "Hg", "Sm", "Li" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 3.8321564, 0, 0 ], [ 0, 3.5215502, 0 ], [ 0, 0, 3.5215502 ] ]
-8.761419
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000005
2.468395
pbe
true
5f66e36d71aacc9c0b87f66cb2180c37_123_Li1Sm1Hg2
[ "La", "N", "O", "Ta" ]
36
A5B2CD
LaNO5Ta2
La4 N4 O20 Ta8
4
[ 1, 1, 1 ]
3
[ [ 11.31715978, 0.0031925, 0.03869107 ], [ 0.00217707, 7.74141253, 0.00258919 ], [ 0.02009784, 0.00178724, 5.52780735 ] ]
mp-778010
[ [ 0.4072721410208137, 5.790015692282244, 3.0652519956432416 ], [ 5.246265744843269, 1.9555169941313422, 0.2908031451600029 ], [ 6.193433351419463, 5.791483839938692, 5.309562598807315 ], [ 10.858482303775165, 1.9683170938284507, 2.5191007496910114 ], [ 1.5997576109967784, 7.710178648075125, 0.2152228123626588 ], [ 1.593440580504588, 3.890890615659467, 0.22885354412702 ], [ 4.050769447705444, 7.715646455708417, 3.02073715345027 ], [ 4.062620678818216, 3.9076978162177074, 3.0096600598923624 ], [ 7.296666755506364, 7.6878995243944965, 2.5913031826838613 ], [ 7.368327268426006, 3.837789776381943, 2.5905626618103943 ], [ 9.676331032337584, 3.8482829815607, 5.286274555837746 ], [ 9.718419560710844, 0.054914265084088795, 5.3563857847563865 ], [ 1.6925456901274893, 5.814909645912085, 5.274927725689247 ], [ 7.260535561651592, 5.820165999125367, 3.045889161122701 ], [ 8.980989880528236, 3.441673898173255, 3.4946891378037295 ], [ 9.683546723390355, 1.930999010704264, 0.3142994365827028 ], [ 0.2874950861891777, 0.2771283085283887, 4.263452288748809 ], [ 0.3183817161908388, 3.5945797721954222, 4.263043733405285 ], [ 1.421944093612119, 1.9342409358164638, 0.83865612433492 ], [ 2.4260830797083877, 4.279404141741312, 2.0741271958600054 ], [ 2.429445540751433, 7.3425331030899486, 2.06636682402172 ], [ 3.290526519490318, 0.45297452028275487, 4.802110979079983 ], [ 3.2919617761427844, 3.424705804686887, 4.801724078641875 ], [ 4.044293480949106, 1.9349991269132738, 2.5321678503873075 ], [ 4.273436498535968, 5.814923189897268, 3.592847524011499 ], [ 5.309810704590111, 4.13963461290505, 1.4902496217646308 ], [ 5.36910168604595, 7.487436826497806, 1.525384190780944 ], [ 5.910754062195448, 0.29106988818313856, 4.053294764086611 ], [ 5.909545768552746, 3.5947618864817295, 4.043525538998792 ], [ 6.982515141411036, 1.9450829910898346, 1.9347541364226872 ], [ 8.018692524629873, 4.314408560383206, 0.72865002513479 ], [ 8.034899723857896, 7.313983083389143, 0.7392102335472579 ], [ 8.938551506175294, 0.43079833554005026, 3.5135677560960286 ], [ 9.978863021739683, 5.818710522229544, 4.757290059024837 ], [ 11.112893720895164, 4.1519175849120415, 1.3012665094519542 ], [ 11.073390255701964, 7.466774861896824, 1.3109418738666903 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}]
[ "La", "La", "La", "La", "Ta", "Ta", "Ta", "Ta", "Ta", "Ta", "Ta", "Ta", "N", "N", "N", "N", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-23 12:35:53
[ 0.1111111111111111, 0.1111111111111111, 0.5555555555555556, 0.2222222222222222 ]
[]
-346.785243
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
4.314277
pbe
true
1e4194ee0fbc32796a091424199f96bc_1_La4Ta8N4O20
[ "Ge", "La", "Pd" ]
4
A2BC
GeLa2Pd
La2 Ge1 Pd1
3
[ 1, 1, 1 ]
3
[ [ 4.44997123, 0, 0 ], [ 2.22498562, 3.85378813, 0 ], [ 2.22498562, 1.28459605, 6.85773371 ] ]
agm001925552
[ [ 4.449971235, 2.56919209, 3.428866855 ], [ 0, 0, 0 ], [ 2.2249878647371495, 1.284597342445357, 1.7178826618241185 ], [ 6.674954605262851, 3.853786837554643, 5.139851048175881 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"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"]}]
[ "Ge", "Pd", "La", "La" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 1.7414851, 0, 0 ], [ 0, 1.7414851, 0 ], [ 0, 0, 1.7019244 ] ]
-22.425687
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.0029082 ], [ 0, 0, -0.0029082 ] ]
0
1.700545
pbe
true
ed3d6639385a70ef4ecc82fa302c71b6_166_La2Ge1Pd1
[ "Ge", "La", "Pm" ]
14
A4B2C
Ge2LaPm4
La2 Pm8 Ge4
3
[ 1, 1, 1 ]
3
[ [ 4.16616976, 0, 0 ], [ 0, 10.00815276, 0 ], [ 0, 0, 10.00815276 ] ]
agm003456113
[ [ 2.08308488, 0, 0 ], [ 0, 5.00407638, 5.00407638 ], [ 0, 1.0270517485418675, 3.3053691929677416 ], [ 0, 8.981101011458133, 6.702783567032259 ], [ 2.08308488, 1.6987071870322585, 6.031128128541867 ], [ 2.08308488, 8.309445572967741, 3.977024631458132 ], [ 2.08308488, 3.977024631458132, 8.309445572967741 ], [ 2.08308488, 6.031128128541867, 1.6987071870322585 ], [ 0, 3.3053691929677416, 1.0270517485418675 ], [ 0, 6.702783567032259, 8.981101011458133 ], [ 0, 1.689684637156063, 8.318468122843937 ], [ 0, 8.318468122843937, 1.689684637156063 ], [ 2.08308488, 6.6937610171560635, 6.6937610171560635 ], [ 2.08308488, 3.3143917428439367, 3.3143917428439367 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "La", "La", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Ge", "Ge", "Ge", "Ge" ]
2023-11-16 06:57:59
[ 0.2857142857142857, 0.14285714285714285, 0.5714285714285714 ]
[ [ 1.0198432, 0, 0 ], [ 0, 0.8964104, 0 ], [ 0, 0, 0.8964104 ] ]
-72.797005
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00342917, 0.0024072 ], [ 0, -0.00342917, -0.0024072 ], [ 0, -0.0024072, 0.00342917 ], [ 0, 0.0024072, -0.00342917 ], [ 0, -0.00342917, 0.0024072 ], [ 0, 0.00342917, -0.0024072 ], [ 0, 0.0024072, 0.00342917 ], [ 0, -0.0024072, -0.00342917 ], [ 0, -0.00160681, 0.00160681 ], [ 0, 0.00160681, -0.00160681 ], [ 0, -0.00160681, -0.00160681 ], [ 0, 0.00160681, 0.00160681 ] ]
0.000085
17.13301
pbe
true
30efa9073ec0f2379329ad0037924302_136_La2Pm8Ge4
[ "Hg", "Mg", "Pu" ]
3
ABC
HgMgPu
Hg1 Mg1 Pu1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.554551124, 3.554551124 ], [ 3.554551124, 0, 3.554551124 ], [ 3.554551124, 3.554551124, 0 ] ]
oqmd-5610582
[ [ 0, 0, 0 ], [ 1.7772799999999995, 1.7772799999999995, 1.7772799999999995 ], [ 5.331829999999998, 5.331829999999998, 5.331829999999998 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "Hg", "Mg", "Pu" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ -13.73687894, 0, 0 ], [ 0, -13.73687894, 0 ], [ 0, 0, -13.73687894 ] ]
-15.7645
[ 0.089, 0.011, 5.599 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
6.39139
null
pbe
true
4f3327b4883dea698f49403e17b0c41d_216_Pu1Mg1Hg1
[ "Ge", "La", "Pr" ]
4
A2BC
GeLa2Pr
La2 Pr1 Ge1
3
[ 1, 1, 1 ]
3
[ [ 4.02755138, 0, 0 ], [ 0, 4.02755138, 0 ], [ 0, 0, 7.64397513 ] ]
agm001114776
[ [ 2.01377569, 2.01377569, 3.821987565 ], [ 2.01377569, 2.01377569, 0 ], [ 0, 0, 6.137990031546925 ], [ 0, 0, 1.5059850984530747 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Pr", "Ge", "La", "La" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 0.76843774, 0, 0 ], [ 0, 0.76843774, 0 ], [ 0, 0, 1.0561562 ] ]
-20.667847
[ 0.051, 0, 0.023, 0.023 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00107181 ], [ 0, 0, 0.00107181 ] ]
0.21642
6.047975
pbe
true
98fa6d13e95a833691e8982e54c7ac96_123_La2Pr1Ge1
[ "Ho", "Nb", "Pm" ]
3
ABC
HoNbPm
Ho1 Nb1 Pm1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.575698454, 3.575698454 ], [ 3.575698454, 0, 3.575698454 ], [ 3.575698454, 3.575698454, 0 ] ]
oqmd-7347974
[ [ 0, 0, 0 ], [ 1.78785, 1.78785, 1.78785 ], [ 5.36355, 5.36355, 5.36355 ] ]
[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "Ho", "Nb", "Pm" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 3.89360312, 0, 0 ], [ 0, 3.89360312, 0 ], [ 0, 0, 3.89360312 ] ]
-15.936
[ 0.425, 1.418, -0.013 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.1219
null
pbe
true
1d6fe800fb4656d2de75731002d2526e_216_Pm1Ho1Nb1
[ "Ho", "Ni", "Pd" ]
3
ABC
HoNiPd
Ho1 Ni1 Pd1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.154658211, 3.154658211 ], [ 3.154658211, 0, 3.154658211 ], [ 3.154658211, 3.154658211, 0 ] ]
oqmd-7347883
[ [ 0, 0, 0 ], [ 1.57733, 1.57733, 1.57733 ], [ 4.731990000000001, 4.731990000000001, 4.7319900000000015 ] ]
[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "Ho", "Ni", "Pd" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ -6.66501042, 0, 0 ], [ 0, -6.66501042, 0 ], [ 0, 0, -6.66501042 ] ]
-15.4316
[ 0, -0.002, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.004506
null
pbe
true
8989438965d9184eac082a23d771bb0b_216_Ho1Ni1Pd1
[ "La", "N", "S", "Ta" ]
10
A2BCD
LaN2STa
La2 Ta2 S2 N4
4
[ 1, 1, 1 ]
3
[ [ 5.59308103, 0, 0 ], [ 0, 5.59308103, 0 ], [ -2.79654051, -2.79654052, 5.81822649 ] ]
agm005005186
[ [ 2.796537749838008, 0.000002821092801383288, 3.971659119495018 ], [ -0.0000027651619915304875, 2.7965433360928014, 3.971659119495018 ], [ 1.3504289984975748e-10, -1.3504291050302287e-10, 0.1571420356132842 ], [ 2.796540515135043, 2.7965405148649567, 0.1571420356132842 ], [ 2.7965405451382357, 2.7965405407925736, 2.528404518316373 ], [ 3.013823616472245e-8, 2.579257409814693e-8, 2.528404518316373 ], [ -1.398159789509056, 1.3983751231287107, 5.400013999002217 ], [ 1.3983807254909437, 1.3981597335782452, 5.400013999002217 ], [ 1.3981653359404782, -1.3983807814217546, 5.400013999002217 ], [ -1.3983751790595214, -1.3981653918712893, 5.400013999002217 ] ]
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "La", "La", "Ta", "Ta", "S", "S", "N", "N", "N", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 0.294281, 0, 0 ], [ 0, 0.294281, 0 ], [ 0, 0, 0.5825563 ] ]
-89.769244
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.00308611 ], [ 0, 0, -0.00308611 ], [ 0, 0, -0.00046951 ], [ 0, 0, -0.00046951 ], [ 0, 0, 0.00465676 ], [ 0, 0, 0.00465676 ], [ 0, 0, -0.00055057 ], [ 0, 0, -0.00055057 ], [ 0, 0, -0.00055057 ], [ 0, 0, -0.00055057 ] ]
0.000007
-0.043372
pbe
true
663aac47be9227da14dc7b5b283800d0_99_La2Ta2S2N4
[ "In", "Tl" ]
5
A3B2
In3Tl2
Tl2 In3
2
[ 1, 1, 1 ]
3
[ [ 2.60531343, -4.51253523, 0 ], [ 2.60531343, 4.51253523, 0 ], [ 0, 0, 6.76372407 ] ]
agm005411903
[ [ 2.60531343, -1.5041784400835683, 1.1171652515632697 ], [ 2.60531343, 1.5041784400835683, 5.646558818436731 ], [ 0, 0, 0 ], [ 2.60531343, -1.5041784400835683, 4.313402019892413 ], [ 2.60531343, 1.5041784400835683, 2.450322050107587 ] ]
[{"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"]}]
[ "Tl", "Tl", "In", "In", "In" ]
2023-11-16 06:57:59
[ 0.6, 0.4 ]
[ [ 3.7583907, 0, 0 ], [ 0, 3.7583907, 0 ], [ 0, 0, 4.1441565 ] ]
-12.30623
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.00230023 ], [ 0, 0, 0.00230023 ], [ 0, 0, 0 ], [ 0, 0, -0.00991128 ], [ 0, 0, 0.00991128 ] ]
0
2.065265
pbe
true
623c628f871a501de08143ca02e7fb7e_164_Tl2In3
[ "Ge", "Li", "Nd" ]
14
A3B2C2
Ge3Li2Nd2
Ge3 Li2 Nd2
3
[ 1, 1, 1 ]
3
[ [ 2.217738889, -9.358855952, 0 ], [ 2.217738889, 9.358855952, 0 ], [ 0, 0, 6.917738293 ] ]
oqmd-8132212
[ [ 2.2177400000000005, -8.196960000000004, 0.46339 ], [ 2.2177400000000005, -4.121509999999999, 1.72943 ], [ 2.2177400000000005, -8.196960000000004, 2.99548 ], [ 2.2177400000000005, 8.196960000000002, 3.92226 ], [ 2.2177400000000005, 4.121509999999999, 5.1883 ], [ 2.2177400000000005, 8.196960000000002, 6.45435 ], [ 2.21774, 5.80787, 0.43161 ], [ 2.21774, 5.80787, 3.02726 ], [ 2.2177400000000005, -5.807870000000001, 3.8904800000000006 ], [ 2.2177400000000005, -5.807870000000001, 6.48613 ], [ 2.21774, -0.970680000000001, 1.72943 ], [ 2.2177400000000005, 2.96183, 1.72943 ], [ 2.21774, -2.9618300000000004, 5.1883 ], [ 2.2177400000000005, 0.9706800000000004, 5.1883 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}]
[ "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Li", "Li", "Li", "Li", "Nd", "Nd", "Nd", "Nd" ]
2024-11-01 00:00:00
[ 0.42857142857142855, 0.2857142857142857, 0.2857142857142857 ]
[ [ 8.74329401, 0, 0 ], [ 0, 9.38549358, 0 ], [ 0, 0, 7.91557113 ] ]
-64.2988
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00798, -0.020636 ], [ 0, 0.013678, 0 ], [ 0, 0.00798, 0.020636 ], [ 0, -0.00798, -0.020636 ], [ 0, -0.013678, 0 ], [ 0, -0.00798, 0.020636 ], [ 0, -0.068652, 0.008676 ], [ 0, -0.068652, -0.008676 ], [ 0, 0.068652, 0.008676 ], [ 0, 0.068652, -0.008676 ], [ 0, 0.002754, 0 ], [ 0, -0.01148, 0 ], [ 0, 0.01148, 0 ], [ 0, -0.002754, 0 ] ]
-0.007094
null
pbe
true
7a7bc85dab226fcf73477af0b1c0c0b4_63_Li4Nd4Ge6
[ "La", "N", "Sb", "W" ]
80
A12B3C3D2
La3N12Sb3W2
La3 N12 Sb3 W2
4
[ 1, 1, 1 ]
3
[ [ -6.563304715, 6.563304715, 6.563304715 ], [ 6.563304715, -6.563304715, 6.563304715 ], [ 6.563304715, 6.563304715, -6.563304715 ] ]
oqmd-5319706
[ [ 1.640830000000005, -1.5038972029020382e-16, 3.281649999999998 ], [ 3.281649999999998, -1.6408299999999916, 6.563299999999996 ], [ -5.3541601072488755e-17, 3.281649999999998, 1.640830000000005 ], [ 1.6850300385254255e-16, 3.2816499999999977, 8.20413 ], [ -1.640829999999992, 6.563299999999996, 3.281649999999998 ], [ 3.281649999999998, 1.640830000000005, -8.925928140541933e-17 ], [ 3.281649999999998, 4.922480000000002, 6.5632999999999955 ], [ 8.204130000000001, -1.464506199726657e-16, 3.281649999999998 ], [ 6.563299999999996, 3.281649999999998, -1.6408299999999918 ], [ 6.563299999999996, 3.281649999999998, 4.922480000000003 ], [ 3.2816499999999977, 8.204130000000001, -6.192868849931188e-17 ], [ 4.922480000000002, 6.563299999999996, 3.281649999999999 ], [ 3.9722599999999986, -3.6755799999999983, 7.97074 ], [ -0.39392999999999345, 0.690609999999994, 1.8742099999999997 ], [ -2.5910399999999987, 3.6755799999999983, 7.970740000000002 ], [ 0.3939299999999993, 0.69061, 8.437520000000001 ], [ -1.4074399999999954, 2.5910399999999956, 10.238879999999998 ], [ -0.6906100000000029, 1.8742100000000033, 6.169379999999997 ], [ 2.8877200000000043, -1.4074399999999985, 9.15434 ], [ 1.8742099999999993, -0.3939299999999934, 0.6906099999999938 ], [ 3.675579999999999, -1.407440000000005, 3.972259999999998 ], [ 1.8742100000000004, 0.393929999999994, 5.872690000000003 ], [ -1.4074400000000045, 3.9722599999999977, 3.6755799999999983 ], [ 0.690609999999994, 1.8742099999999997, -0.39392999999999345 ], [ 1.407440000000005, 2.5910399999999982, 3.675579999999999 ], [ 5.872690000000003, -1.8742100000000004, 6.169380000000001 ], [ -3.6755799999999983, 7.97074, 3.972259999999999 ], [ -1.874210000000001, 6.169380000000001, 5.872690000000003 ], [ 3.6755799999999983, 1.407440000000005, 2.5910399999999982 ], [ 4.689090000000003, 0.3939300000000008, 7.253919999999995 ], [ 7.970740000000001, -2.591039999999999, 3.675579999999998 ], [ 0.6906100000000005, 4.689090000000002, 6.169379999999994 ], [ 2.5910399999999987, 2.8877199999999967, 7.97074 ], [ 6.169379999999997, -0.690610000000003, 1.8742100000000033 ], [ 0.39392999999999423, 5.872690000000002, 1.8742100000000004 ], [ 2.591039999999998, 3.6755799999999983, 1.4074400000000054 ], [ 3.9722599999999986, 2.887719999999997, 5.155860000000005 ], [ 6.169379999999994, 0.6906100000000002, 4.689090000000001 ], [ 3.9722599999999977, 3.675579999999999, -1.407440000000005 ], [ 0.3939300000000008, 7.253919999999995, 4.689090000000004 ], [ -1.4074399999999978, 9.15434, 2.887720000000004 ], [ 5.872690000000002, 1.8742100000000008, 0.3939299999999941 ], [ 1.8742100000000037, 6.169379999999997, -0.6906100000000032 ], [ 2.8877199999999976, 5.155860000000004, 3.9722599999999977 ], [ 8.437520000000001, 0.3939299999999999, 0.6906099999999997 ], [ 10.238879999999998, -1.4074399999999954, 2.5910399999999956 ], [ 0.6906099999999997, 8.437520000000003, 0.3939299999999995 ], [ 5.155860000000005, 3.9722599999999986, 2.8877199999999967 ], [ 5.872690000000003, 4.689089999999996, 6.9572300000000045 ], [ 7.970740000000001, 2.5910399999999982, 2.8877199999999963 ], [ 4.689090000000002, 6.169379999999994, 0.69061 ], [ 2.8877199999999967, 7.970740000000001, 2.591039999999998 ], [ 3.6755799999999983, 7.970740000000001, -2.5910399999999987 ], [ 4.689089999999996, 6.957230000000004, 5.872690000000004 ], [ 7.253919999999995, 4.689090000000003, 0.393930000000001 ], [ 7.97074, 3.972259999999999, -3.6755799999999983 ], [ 6.16938, 5.872690000000003, -1.8742100000000004 ], [ 9.15434, 2.8877200000000043, -1.407439999999998 ], [ 2.5910399999999956, 10.238879999999998, -1.4074399999999956 ], [ 6.957230000000004, 5.872690000000003, 4.689089999999996 ], [ -3.281649999999998, 4.922480000000003, 6.5632999999999955 ], [ 1.6408299999999978, 6.732993032385767e-15, 9.84496 ], [ -5.3541601072488755e-17, 3.281649999999998, 4.922480000000004 ], [ 6.5632999999999955, -3.2816499999999977, 4.922480000000003 ], [ 4.922480000000003, 8.925928140541933e-17, 3.2816499999999977 ], [ 3.281649999999998, 1.640830000000005, 6.563299999999996 ], [ 3.281649999999998, 4.922480000000003, 1.464506199726657e-16 ], [ 1.640830000000004, 6.563299999999996, 3.281649999999999 ], [ 7.28394592041184e-15, 9.84496, 1.6408299999999971 ], [ 6.563299999999996, 3.281649999999998, 1.6408300000000042 ], [ 4.922480000000003, 6.563299999999996, -3.2816499999999977 ], [ 9.84496, 1.6408299999999978, 6.7832442666295075e-15 ], [ 0, 0, 0 ], [ -3.281649999999998, 3.281649999999998, 3.281649999999998 ], [ 3.281649999999998, -3.281649999999998, 3.281649999999998 ], [ -1.0708320214497751e-16, 1.0708320214497751e-16, 6.563299999999996 ], [ 3.281649999999998, 3.281649999999998, -3.281649999999998 ], [ -1.0708320214497751e-16, 6.563299999999996, 1.0708320214497751e-16 ], [ 6.563299999999996, -1.0708320214497751e-16, 1.0708320214497751e-16 ], [ 3.281649999999998, 3.281649999999998, 3.281649999999998 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "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", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "W", "W", "W", "W", "W", "W", "W", "W" ]
2024-11-01 00:00:00
[ 0.15, 0.6, 0.15, 0.1 ]
[ [ 33.52477738, 0, 0 ], [ 0, 33.52477738, 0 ], [ 0, 0, 33.52477738 ] ]
-640.697
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.012922, -0.014837, -0.010049 ], [ -0.014837, -0.012922, 0.010049 ], [ -0.012922, 0.014837, -0.010049 ], [ 0.014837, -0.012922, 0.010049 ], [ 0.010049, 0.012922, 0.014837 ], [ 0.012922, 0.010049, -0.014837 ], [ -0.014837, 0.010049, 0.012922 ], [ 0.010049, -0.014837, -0.012922 ], [ 0.014837, 0.010049, -0.012922 ], [ 0.010049, 0.014837, 0.012922 ], [ 0.010049, -0.012922, 0.014837 ], [ -0.012922, 0.010049, -0.014837 ], [ -0.010049, 0.012922, 0.014837 ], [ 0.012922, -0.010049, -0.014837 ], [ -0.014837, -0.010049, -0.012922 ], [ -0.010049, -0.014837, 0.012922 ], [ 0.014837, -0.010049, 0.012922 ], [ -0.010049, 0.014837, -0.012922 ], [ -0.010049, -0.012922, 0.014837 ], [ -0.012922, -0.010049, -0.014837 ], [ 0.012922, -0.014837, -0.010049 ], [ -0.014837, 0.012922, 0.010049 ], [ 0.014837, 0.012922, 0.010049 ], [ 0.012922, 0.014837, -0.010049 ], [ -0.012922, -0.014837, 0.010049 ], [ -0.014837, -0.012922, -0.010049 ], [ -0.012922, 0.014837, 0.010049 ], [ 0.014837, -0.012922, -0.010049 ], [ 0.010049, 0.012922, -0.014837 ], [ 0.012922, 0.010049, 0.014837 ], [ 0.010049, -0.014837, 0.012922 ], [ -0.014837, 0.010049, -0.012922 ], [ 0.010049, 0.014837, -0.012922 ], [ 0.014837, 0.010049, 0.012922 ], [ -0.012922, 0.010049, 0.014837 ], [ 0.010049, -0.012922, -0.014837 ], [ 0.012922, -0.010049, 0.014837 ], [ -0.010049, 0.012922, -0.014837 ], [ -0.010049, -0.014837, -0.012922 ], [ -0.014837, -0.010049, 0.012922 ], [ 0.014837, -0.010049, -0.012922 ], [ -0.010049, 0.014837, 0.012922 ], [ -0.012922, -0.010049, 0.014837 ], [ -0.010049, -0.012922, -0.014837 ], [ -0.014837, 0.012922, -0.010049 ], [ 0.012922, -0.014837, 0.010049 ], [ 0.012922, 0.014837, 0.010049 ], [ 0.014837, 0.012922, -0.010049 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.022775
null
pbe
true
9220f0a062383575afcfc33d3d31fa75_230_La12Sb12W8N48
[ "Ir", "La" ]
4
A3B
Ir3La
La1 Ir3
2
[ 1, 1, 1 ]
3
[ [ 2.91096011, 0, 0 ], [ 0.97031992, 5.32210348, 0 ], [ 0.97031992, -2.66104982, 4.60907792 ] ]
agm004306174
[ [ 0, 0, 0 ], [ 1.940640015, -1.33052491, 2.30453896 ], [ 1.940640015, 2.66105174, 0 ], [ 0.97031992, 1.33052683, 2.30453896 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "Ir", "Ir", "Ir", "La" ]
2023-11-16 06:57:59
[ 0.75, 0.25 ]
[ [ 5.7216644, -1.4e-7, -2.4e-7 ], [ -1.4e-7, 6.1040406, 0.00000254 ], [ -2.4e-7, 0.00000254, 6.1040435 ] ]
-30.889293
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000026
5.181565
pbe
true
2f373fc3700ec49006c6d5a908c4e36d_166_La1Ir3
[ "Ir", "Mo" ]
4
A3B
Ir3Mo
Mo1 Ir3
2
[ 1, 1, 1 ]
3
[ [ 2.77305034, 0, 0 ], [ 0, 4.41330765, 0 ], [ 0, 0, 4.81716105 ] ]
agm003190575
[ [ 0, 2.206653825, 1.5812937627201196 ], [ 0, 0, 4.802923593315452 ], [ 1.38652517, 0, 2.429386614320718 ], [ 1.38652517, 2.206653825, 4.032158893872525 ] ]
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "Mo", "Ir", "Ir", "Ir" ]
2023-11-16 06:57:59
[ 0.75, 0.25 ]
[ [ 9.330752, 0, 0 ], [ 0, 9.530071, 0 ], [ 0, 0, 9.328535 ] ]
-38.366545
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0.00545495 ], [ 0, 0, 0.00162596 ], [ 0, 0, 0.00000779 ], [ 0, 0, -0.0070887 ] ]
0.000012
2.619831
pbe
true
a2d2bcd2d1eb1a2e962b04331bb88f7d_25_Mo1Ir3
[ "Ir", "Mo" ]
4
A3B
Ir3Mo
Mo1 Ir3
2
[ 1, 1, 1 ]
3
[ [ 5.22363646, 0.00169282, -0.0026865 ], [ 2.26876485, 4.7052191, 0.0026865 ], [ -3.00140299, -3.5390143, 2.3986133 ] ]
agm003798752
[ [ -1.1210814866760201, -2.354118433686131, 2.396849706201056 ], [ 2.60740528121446, -0.011790743140799784, 2.396849706227921 ], [ 4.492348342718517, 1.1657480622249552, 0.804467786979568 ], [ 3.0073850329515786, 3.5294933835134477, 0.79903842037432 ] ]
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "Ir", "Ir", "Ir", "Mo" ]
2023-11-16 06:57:59
[ 0.75, 0.25 ]
[ [ 10.0428915, 0.13821852, -0.03530784 ], [ 0.13821852, 9.909709, 0.05620631 ], [ -0.03530784, 0.05620631, 9.900545 ] ]
-38.175046
[ 0, 0, 0, 0 ]
[ [ -0.00512512, -0.00092887, -0.00111257 ], [ 0.00306129, 0.00421404, -0.00111257 ], [ 0.00050348, -0.00080144, 0.00054284 ], [ 0.00156035, -0.00248374, 0.0016823 ] ]
-0.000002
3.365122
pbe
true
7118c06e09cc1587f23de116ab407447_44_Mo1Ir3
[ "La", "Na", "O", "P" ]
112
A8B3C2D
LaNa3O8P2
La8 Na24 O64 P16
4
[ 1, 1, 1 ]
3
[ [ 0, -5.43044202, 0 ], [ -14.17153407, 0, 0 ], [ 0, 0, -19.00887306 ] ]
mp-1210985
[ [ -3.0710387477558325, -5.334596727610547, -18.887421378156315 ], [ -11.100495322244168, -0.0958452923894526, -9.382984848156317 ], [ -10.156805782755832, -0.0958452923894526, -18.887421378156315 ], [ -4.014728287244168, -5.334596727610547, -9.382984848156317 ], [ -13.49604166307846, -5.364164452625464, -12.314953917830335 ], [ -0.6754924069215409, -0.0662775673745364, -2.810517387830335 ], [ -6.410274628078459, -0.0662775673745364, -12.314953917830335 ], [ -7.76125944192154, -5.364164452625464, -2.810517387830335 ], [ -12.213115641606553, -5.374019184367999, -15.747211434731112 ], [ -1.9584184283934474, -0.056422835632002, -6.242774904731114 ], [ -5.127348606606552, -0.056422835632002, -15.747211434731112 ], [ -9.044185463393447, -5.374019184367999, -6.242774904731114 ], [ -11.299048009492694, -2.5774722548074194, -13.913267486897785 ], [ -2.8724860605073057, -2.8529697651925807, -4.408830956897785 ], [ -4.213280974492695, -2.8529697651925807, -13.913267486897785 ], [ -9.958253095507306, -2.5774722548074194, -4.408830956897785 ], [ -13.708939202258662, -2.9292580266044657, -16.88170717051345 ], [ -0.4625948677413378, -2.501183993395534, -7.37727064051345 ], [ -6.623172167258662, -2.501183993395534, -16.88170717051345 ], [ -7.548361902741338, -2.9292580266044657, -7.37727064051345 ], [ -12.534207174797578, -2.699412721757679, -10.474230265331427 ], [ -1.6373268952024223, -2.731029298242321, -0.969793735331427 ], [ -5.448440139797577, -2.731029298242321, -10.474230265331427 ], [ -8.723093930202422, -2.699412721757679, -0.969793735331427 ], [ -8.698436594643349, -5.05813075219554, -15.264259459912534 ], [ -5.473097475356652, -0.37231126780446056, -5.759822929912533 ], [ -1.612669559643348, -0.37231126780446056, -15.264259459912534 ], [ -12.558864510356651, -5.05813075219554, -5.759822929912533 ], [ -8.994953412318926, -3.0124894882698623, -10.921218212675408 ], [ -5.176580657681074, -2.417952531730138, -1.416781682675409 ], [ -1.9091863773189266, -2.417952531730138, -10.921218212675408 ], [ -12.262347692681073, -3.0124894882698623, -1.416781682675409 ], [ -6.732268887989743, -5.260792458987451, -18.637860536857147 ], [ -7.439265182010256, -0.1696495610125494, -9.133424006857148 ], [ -13.818035922989743, -0.1696495610125494, -18.637860536857147 ], [ -0.3534981470102568, -5.260792458987451, -9.133424006857148 ], [ -3.2573095332872533, -5.351573484062312, -12.41028854862196 ], [ -10.914224536712746, -0.07886853593768821, -2.905852018621961 ], [ -10.343076568287254, -0.07886853593768821, -12.41028854862196 ], [ -3.828457501712747, -5.351573484062312, -2.905852018621961 ], [ -7.363734873446696, -2.573427064242301, -13.755394804271143 ], [ -6.807799196553304, -2.857014955757699, -4.2509582742711425 ], [ -0.27796783844669637, -2.857014955757699, -13.755394804271143 ], [ -13.893566231553304, -2.573427064242301, -4.2509582742711425 ], [ -10.29613591255651, -2.4958867058138647, -17.046900550332957 ], [ -3.875398157443489, -2.9345553141861354, -7.542464020332959 ], [ -3.210368877556511, -2.9345553141861354, -17.046900550332957 ], [ -10.96116519244349, -2.4958867058138647, -7.542464020332959 ], [ -11.38808265630224, -3.1722905625482003, -16.18392356547632 ], [ -2.783451413697761, -2.2581514574518, -6.6794870354763205 ], [ -4.302315621302239, -2.2581514574518, -16.18392356547632 ], [ -9.86921844869776, -3.1722905625482003, -6.6794870354763205 ], [ -6.662882931452913, -3.7540383936954638, -14.496408198332592 ], [ -7.508651138547088, -1.6764036263045363, -4.991971668332593 ], [ -13.748649966452913, -1.6764036263045363, -14.496408198332592 ], [ -0.42288410354708733, -3.7540383936954638, -4.991971668332593 ], [ -12.444108245779375, -4.912187025559417, -18.921478815662997 ], [ -1.7274258242206242, -0.5182549944405829, -9.417042285662996 ], [ -5.3583412107793755, -0.5182549944405829, -18.921478815662997 ], [ -8.813192859220624, -4.912187025559417, -9.417042285662996 ], [ -11.069258568562413, -4.375137162678774, -11.622335403781069 ], [ -3.102275501437586, -1.055304857321226, -2.1178988737810696 ], [ -3.983491533562414, -1.055304857321226, -11.622335403781069 ], [ -10.188042536437587, -4.375137162678774, -2.1178988737810696 ], [ -6.628536092904157, -3.7251060303968875, -18.944251255500145 ], [ -7.542997977095843, -1.7053359896031126, -9.439814725500145 ], [ -13.714303127904156, -1.7053359896031126, -18.944251255500145 ], [ -0.4572309420958428, -3.7251060303968875, -9.439814725500145 ], [ -6.340242166157355, -4.951963710049832, -10.012190522032345 ], [ -7.8312919038426445, -0.4784783099501676, -0.5077539920323452 ], [ -13.426009201157354, -0.4784783099501676, -10.012190522032345 ], [ -0.7455248688426447, -4.951963710049832, -0.5077539920323452 ], [ -14.049129711915825, -4.19583917241603, -14.439655687102118 ], [ -0.1224043580841738, -1.23460284758397, -4.935219157102117 ], [ -6.9633626769158266, -1.23460284758397, -14.439655687102118 ], [ -7.208171393084174, -4.19583917241603, -4.935219157102117 ], [ -8.926494699256297, -3.202385094743477, -16.804628661408646 ], [ -5.2450393707437035, -2.2280569252565234, -7.300192131408647 ], [ -1.8407276642562964, -2.2280569252565234, -16.804628661408646 ], [ -12.330806405743703, -3.202385094743477, -7.300192131408647 ], [ -8.900922449457664, -2.798746095665418, -13.797946356704683 ], [ -5.270611620542337, -2.6316959243345823, -4.293509826704683 ], [ -1.8151554144576625, -2.6316959243345823, -13.797946356704683 ], [ -12.356378655542336, -2.798746095665418, -4.293509826704683 ], [ -8.810287553020933, -5.252471338375785, -12.362332773577462 ], [ -5.361246516979066, -0.17797068162421562, -2.857896243577463 ], [ -1.7245205180209335, -0.17797068162421562, -12.362332773577462 ], [ -12.447013551979067, -5.252471338375785, -2.857896243577463 ], [ -3.0962156117539132, -4.455161405287159, -16.66415746153605 ], [ -11.075318458246086, -0.9752806147128414, -7.159720931536051 ], [ -10.181982646753914, -0.9752806147128414, -16.66415746153605 ], [ -3.989551423246087, -4.455161405287159, -7.159720931536051 ], [ -3.7126069112745856, -5.370134680582251, -13.902081715545629 ], [ -10.458927158725414, -0.0603073394177484, -4.397645185545628 ], [ -10.798373946274586, -0.0603073394177484, -13.902081715545629 ], [ -3.3731601237254147, -5.370134680582251, -4.397645185545628 ], [ -13.988854776347939, -2.8773572286513582, -12.264760038071751 ], [ -0.1826792936520606, -2.553084791348642, -2.7603235080717523 ], [ -6.90308774134794, -2.553084791348642, -12.264760038071751 ], [ -7.26844632865206, -2.8773572286513582, -2.7603235080717523 ], [ -14.124532193242075, -5.389588587465859, -17.116995769741706 ], [ -0.0470018767579248, -0.0408534325341408, -7.612559239741709 ], [ -7.038765158242075, -0.0408534325341408, -17.116995769741706 ], [ -7.132768911757925, -5.389588587465859, -7.612559239741709 ], [ -10.722570693964835, -1.4477582319264888, -11.774962587886804 ], [ -3.4489633760351635, -3.982683788073511, -2.2705260578868054 ], [ -3.636803658964837, -3.982683788073511, -11.774962587886804 ], [ -10.534730411035165, -1.4477582319264888, -2.2705260578868054 ], [ -10.612388150293313, -2.5651182164296005, -18.575891040415357 ], [ -3.5591459197066877, -2.8653238035703996, -9.071454510415355 ], [ -3.5266211152933122, -2.8653238035703996, -18.575891040415357 ], [ -10.644912954706687, -2.5651182164296005, -9.071454510415355 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"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", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "La", "La", "La", "La", "La", "La", "La", "La", "P", "P", "P", "P", "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" ]
2019-01-12 13:25:58
[ 0.07142857142857142, 0.21428571428571427, 0.5714285714285714, 0.14285714285714285 ]
[ [ -0.2613766, 0, 0 ], [ 0, -0.21695782, 0 ], [ 0, 0, -1.66628189 ] ]
-761.929113
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.06780146, -0.06221659, 0.04308987 ], [ -0.06780146, 0.06221659, 0.04308987 ], [ 0.06780146, 0.06221659, 0.04308987 ], [ -0.06780146, -0.06221659, 0.04308987 ], [ -0.07422614, -0.04213098, 0.00521916 ], [ 0.07422614, 0.04213098, 0.00521916 ], [ -0.07422614, 0.04213098, 0.00521916 ], [ 0.07422614, -0.04213098, 0.00521916 ], [ -0.08089657, -0.03886985, 0.08469916 ], [ 0.08089657, 0.03886985, 0.08469916 ], [ -0.08089657, 0.03886985, 0.08469916 ], [ 0.08089657, -0.03886985, 0.08469916 ], [ 0.1098732, -0.03224222, 0.10958606 ], [ -0.1098732, 0.03224222, 0.10958606 ], [ 0.1098732, 0.03224222, 0.10958606 ], [ -0.1098732, -0.03224222, 0.10958606 ], [ -0.07760789, 0.04385452, 0.08653757 ], [ 0.07760789, -0.04385452, 0.08653757 ], [ -0.07760789, -0.04385452, 0.08653757 ], [ 0.07760789, 0.04385452, 0.08653757 ], [ -0.1044424, -0.01803469, 0.11032615 ], [ 0.1044424, 0.01803469, 0.11032615 ], [ -0.1044424, 0.01803469, 0.11032615 ], [ 0.1044424, -0.01803469, 0.11032615 ], [ -0.02278413, -0.04309073, 0.04610426 ], [ 0.02278413, 0.04309073, 0.04610426 ], [ -0.02278413, 0.04309073, 0.04610426 ], [ 0.02278413, -0.04309073, 0.04610426 ], [ -0.06035364, -0.01035854, -0.01026879 ], [ 0.06035364, 0.01035854, -0.01026879 ], [ -0.06035364, 0.01035854, -0.01026879 ], [ 0.06035364, -0.01035854, -0.01026879 ], [ -0.04372125, -0.03824812, 0.06121592 ], [ 0.04372125, 0.03824812, 0.06121592 ], [ -0.04372125, 0.03824812, 0.06121592 ], [ 0.04372125, -0.03824812, 0.06121592 ], [ -0.05401985, 0.00991185, -0.1015376 ], [ 0.05401985, -0.00991185, -0.1015376 ], [ -0.05401985, -0.00991185, -0.1015376 ], [ 0.05401985, 0.00991185, -0.1015376 ], [ 0.06661476, 0.05321647, -0.07102119 ], [ -0.06661476, -0.05321647, -0.07102119 ], [ 0.06661476, -0.05321647, -0.07102119 ], [ -0.06661476, 0.05321647, -0.07102119 ], [ -0.06143221, -0.04191631, -0.04672053 ], [ 0.06143221, 0.04191631, -0.04672053 ], [ -0.06143221, 0.04191631, -0.04672053 ], [ 0.06143221, -0.04191631, -0.04672053 ], [ 0.03798748, 0.03206783, -0.09333403 ], [ -0.03798748, -0.03206783, -0.09333403 ], [ 0.03798748, -0.03206783, -0.09333403 ], [ -0.03798748, 0.03206783, -0.09333403 ], [ 0.03300398, 0.010077, -0.02564006 ], [ -0.03300398, -0.010077, -0.02564006 ], [ 0.03300398, -0.010077, -0.02564006 ], [ -0.03300398, 0.010077, -0.02564006 ], [ -0.09004686, 0.04619374, -0.00208846 ], [ 0.09004686, -0.04619374, -0.00208846 ], [ -0.09004686, -0.04619374, -0.00208846 ], [ 0.09004686, 0.04619374, -0.00208846 ], [ 0.10931579, 0.05970907, -0.02696789 ], [ -0.10931579, -0.05970907, -0.02696789 ], [ 0.10931579, -0.05970907, -0.02696789 ], [ -0.10931579, 0.05970907, -0.02696789 ], [ 0.01709385, -0.05913513, -0.03633621 ], [ -0.01709385, 0.05913513, -0.03633621 ], [ 0.01709385, 0.05913513, -0.03633621 ], [ -0.01709385, -0.05913513, -0.03633621 ], [ -0.02826862, 0.04092264, -0.00597928 ], [ 0.02826862, -0.04092264, -0.00597928 ], [ -0.02826862, -0.04092264, -0.00597928 ], [ 0.02826862, 0.04092264, -0.00597928 ], [ -0.01789943, 0.10760535, 0.00124275 ], [ 0.01789943, -0.10760535, 0.00124275 ], [ -0.01789943, -0.10760535, 0.00124275 ], [ 0.01789943, 0.10760535, 0.00124275 ], [ -0.00326339, -0.03297113, -0.01306533 ], [ 0.00326339, 0.03297113, -0.01306533 ], [ -0.00326339, 0.03297113, -0.01306533 ], [ 0.00326339, -0.03297113, -0.01306533 ], [ 0.05984815, -0.02810927, -0.04184631 ], [ -0.05984815, 0.02810927, -0.04184631 ], [ 0.05984815, 0.02810927, -0.04184631 ], [ -0.05984815, -0.02810927, -0.04184631 ], [ -0.04217454, -0.04774312, -0.0364073 ], [ 0.04217454, 0.04774312, -0.0364073 ], [ -0.04217454, 0.04774312, -0.0364073 ], [ 0.04217454, -0.04774312, -0.0364073 ], [ 0.02551041, 0.0458593, -0.01333484 ], [ -0.02551041, -0.0458593, -0.01333484 ], [ 0.02551041, -0.0458593, -0.01333484 ], [ -0.02551041, 0.0458593, -0.01333484 ], [ -0.02674609, -0.01691524, 0.07974037 ], [ 0.02674609, 0.01691524, 0.07974037 ], [ -0.02674609, 0.01691524, 0.07974037 ], [ 0.02674609, -0.01691524, 0.07974037 ], [ -0.03859311, 0.01658185, -0.07642629 ], [ 0.03859311, -0.01658185, -0.07642629 ], [ -0.03859311, -0.01658185, -0.07642629 ], [ 0.03859311, 0.01658185, -0.07642629 ], [ -0.02688232, -0.08039004, -0.05694881 ], [ 0.02688232, 0.08039004, -0.05694881 ], [ -0.02688232, 0.08039004, -0.05694881 ], [ 0.02688232, -0.08039004, -0.05694881 ], [ -0.06274178, 0.11476067, -0.01141424 ], [ 0.06274178, -0.11476067, -0.01141424 ], [ -0.06274178, -0.11476067, -0.01141424 ], [ 0.06274178, 0.11476067, -0.01141424 ], [ 0.01378151, -0.02340529, 0.04157592 ], [ -0.01378151, 0.02340529, 0.04157592 ], [ 0.01378151, 0.02340529, 0.04157592 ], [ -0.01378151, -0.02340529, 0.04157592 ] ]
0
2.666344
pbe
true
fdd3e6a0176b461c9123ee9b74c0d105_29_Na24La8P16O64