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
⌀
[ "As", "Er", "Pb" ]
7
A3B3C
As3ErPb3
Er1 As3 Pb3
3
[ 1, 1, 1 ]
3
[ [ 9.80330802, 2e-8, 0 ], [ -3e-8, 4.08636209, 0 ], [ 0, 0, 17.6797684 ] ]
agm2000073834
[ [ 1.8579982229999998e-7, 1.3983991604987547, 8.447968110790685 ], [ 2.324042478795827, 1.3817183900069923, 9.884505868549564 ], [ 7.479265226817179, 1.381718359660684, 9.884506045347248 ], [ 4.901653810092462, 0.5232418806763096, 7.69248579459682 ], [ 2.445357910770079, 3.3714834907409124, 7.798734661166511 ], [ 7.357950157759554, 3.3714834190359864, 7.798734661166511 ], [ 4.901654177237924, 3.926753741262729, 10.372254258382661 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}]
[ "Er", "As", "As", "As", "Pb", "Pb", "Pb" ]
2023-11-16 06:57:59
[ 0.42857142857142855, 0.14285714285714285, 0.42857142857142855 ]
[ [ 0.73150015, 0, 0 ], [ 0, 0.7785721, -0.01313254 ], [ 0, -0.01313246, -0.10463514 ] ]
-28.83944
[ 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.0002666, 0.00218731 ], [ 0.00358858, -0.0005167, -0.00083196 ], [ -0.00358858, -0.0005167, -0.00083196 ], [ 0, 0.00160661, -0.00166227 ], [ 0.00282025, 0.00028095, -0.00168803 ], [ -0.00282025, 0.00028095, -0.00168803 ], [ 0, -0.00086852, 0.00451495 ] ]
0
1.43983
pbe
true
a766a8738fa09afbee4f08946a380d84_6_Er1As3Pb3
[ "As", "Fe", "N" ]
14
A3B3C
As3Fe3N
Fe6 As6 N2
3
[ 1, 1, 1 ]
3
[ [ 7.69122582, -4e-8, 0 ], [ 5.1e-7, 4.30107345, 0 ], [ 0, 0, 19.76095757 ] ]
agm2000099419
[ [ 6.85736484151963, 2.895349793728552, 11.113842154917613 ], [ 0.8338504885722021, 0.7448130570444974, 8.647115415082384 ], [ 0.833850488572197, 0.7448130140337629, 11.11384195730804 ], [ 6.857364764607382, 2.895349879750022, 8.647115612691959 ], [ 2.182113579923414, 3.1125259842693853, 9.880478785 ], [ 5.5091018785840715, 0.9619895860524871, 9.880478785 ], [ 6.2923000658963915, 0.707732012079144, 12.260957639863511 ], [ 1.3989152554015925, 2.858268117367308, 7.499999930136488 ], [ 1.398915332313866, 2.8582682463995113, 12.260957442253934 ], [ 6.292299835159612, 0.7077319690684107, 7.5000001277460635 ], [ 4.6487998379706985, 3.1059439957295427, 9.880478982609576 ], [ 3.042415618975785, 0.9554068919873039, 9.880478587390424 ], [ 0.44671597200527546, 3.574284378673724, 9.880478785 ], [ 7.244499442183706, 1.4237476613310105, 9.880478785 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "As", "As", "As", "As", "As", "As", "N", "N" ]
2023-11-16 06:57:59
[ 0.42857142857142855, 0.42857142857142855, 0.14285714285714285 ]
[ [ 0.21617109, 3e-8, 0 ], [ 3e-8, 0.294742, 0 ], [ 0, 0, -0.20085022 ] ]
-92.501056
[ 1.525, 1.525, 1.525, 1.525, -0.042, -0.042, -0.055, -0.055, -0.055, -0.055, -0.011, -0.011, -0.045, -0.045 ]
[ [ -0.0117847, -0.00207509, 0.00204109 ], [ 0.0117847, -0.00207509, -0.00204109 ], [ 0.0117847, -0.00207509, 0.00204109 ], [ -0.0117847, -0.00207509, -0.00204109 ], [ -0.0053234, 0.00449391, 0 ], [ 0.0053234, 0.00449391, 0 ], [ 0.0000035, 0.0003348, -0.00056518 ], [ -0.0000035, 0.0003348, 0.00056518 ], [ -0.0000035, 0.0003348, -0.00056518 ], [ 0.0000035, 0.0003348, 0.00056518 ], [ -0.00003141, 0.0001056, 0 ], [ 0.00003141, 0.0001056, 0 ], [ 0.00462681, -0.00111894, 0 ], [ -0.00462681, -0.00111894, 0 ] ]
5.59092
6.966263
pbe
true
93c04451a25eddfa22cff9e81602ba45_26_Fe6As6N2
[ "As", "Fe", "Pr" ]
9
A6B2C
As2FePr6
Pr6 Fe1 As2
3
[ 1, 1, 1 ]
3
[ [ 4.10764923, 0, 0 ], [ 0, 8.29660682, 0 ], [ 0, -4.1483034, 7.18507226 ] ]
agm002272342
[ [ 0, 3.143513105306279, 5.444724390937296 ], [ 0, -2.1387227754569005, 7.18507226 ], [ 0, -1.004790309849378, 1.7403478690627043 ], [ 2.053824615, 5.888939242484323, 4.170202575469596 ], [ 2.053824615, 4.815335166639314, 0 ], [ 2.053824615, 1.7406358308763608, 3.0148696845304035 ], [ 0, 4.148303454816367, 2.3950240627164257 ], [ 0, -3.481636752258603e-8, 4.790048197283574 ], [ 2.053824615, 0, 0 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "As", "As", "Fe" ]
2023-11-16 06:57:59
[ 0.2222222222222222, 0.1111111111111111, 0.6666666666666666 ]
[ [ -0.69537437, 0, 0 ], [ 0, 1.3692076, 0 ], [ 0, 0, 1.3692076 ] ]
-51.39456
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00110241, 0.00190943 ], [ 0, -0.00220482, 0 ], [ 0, 0.00110241, -0.00190943 ], [ 0, -0.00417532, 0.00723187 ], [ 0, 0.00835065, 0 ], [ 0, -0.00417532, -0.00723187 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000779
26.00164
pbe
true
e5e7e217b8dce1957c4f5a61cfe641d1_189_Pr6Fe1As2
[ "As", "Ga", "Re" ]
5
A3BC
AsGaRe3
Ga1 Re3 As1
3
[ 1, 1, 1 ]
3
[ [ 4.54828805, 0, 0 ], [ 0, 4.54828805, 0 ], [ 0, 0, 4.54828805 ] ]
agm002480462
[ [ 0, 2.274144025, 0 ], [ 0, 0, 2.274144025 ], [ 2.274144025, 0, 0 ], [ 0, 0, 0 ], [ 2.274144025, 2.274144025, 2.274144025 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Re", "Re", "Re", "As", "Ga" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ -0.35414016, 0, 0 ], [ 0, -0.35414016, 0 ], [ 0, 0, -0.35414016 ] ]
-36.784731
[ 0.246, 0.178, 0.272, -0.011, -0.02 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.743467
4.847221
pbe
true
e428cc638fbbd9eb407bb6da56f6c1f2_221_Ga1Re3As1
[ "As", "Ge", "Pd" ]
13
A8B3C2
As2Ge3Pd8
Ge3 As2 Pd8
3
[ 1, 1, 1 ]
3
[ [ 6.57348228, 0, 0.22608481 ], [ 0, 7.91229313, 0 ], [ -2.44642314, -3.95614657, 4.65121965 ] ]
agm003353662
[ [ 3.28674114, 0, 0.113042405 ], [ 6.57348228, 2.052014136537438, 0.22608481 ], [ -2.44642314, 1.904132423462562, 4.65121965 ], [ 1.0094173596672358, -4.217948666147576e-8, 2.5141720137933175 ], [ 3.1176417803327645, 3.9561466021794867, 2.3631324462066825 ], [ 5.212655045891252, 3.9561465245737493, 0.998294305608539 ], [ -1.0855959058912514, 3.542624996121758e-8, 3.8790101543914606 ], [ 5.497682406340994, -1.100769874127358e-9, 1.2315928134845326 ], [ -1.370623266340993, 3.95614656110077, 3.6457116465154673 ], [ 1.8895200683695492, 1.9747768589888546, 3.803388031680986 ], [ 1.8895200683695492, -1.974776866883504, 3.803388031680986 ], [ 2.2375390716304517, 5.930923426883503, 1.073916428319014 ], [ 2.2375390716304517, 1.981369701011145, 1.073916428319014 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "Ge", "Ge", "Ge", "As", "As", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd" ]
2023-11-16 06:57:59
[ 0.15384615384615385, 0.23076923076923078, 0.6153846153846154 ]
[ [ 6.189725, 0, -0.1299215 ], [ 0, 6.1264977, 0 ], [ -0.12992153, 0, 6.3571486 ] ]
-67.421989
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0.00357427, 0 ], [ 0, -0.00357427, 0 ], [ -0.00207688, 0, -0.00405064 ], [ 0.00207688, 0, 0.00405064 ], [ -0.00386101, 0, 0.00190927 ], [ 0.00386101, 0, -0.00190927 ], [ -0.00076258, 0, -0.00124888 ], [ 0.00076258, 0, 0.00124888 ], [ 0.00029162, 0.00141683, -0.00234618 ], [ 0.00029162, -0.00141683, -0.00234618 ], [ -0.00029162, 0.00141683, 0.00234618 ], [ -0.00029162, -0.00141683, 0.00234618 ] ]
-0.000001
4.38101
pbe
true
70c69208652332e5d6793217782d5cba_12_Ge3As2Pd8
[ "As", "Ge", "Te" ]
4
A2BC
AsGe2Te
Ge2 Te1 As1
3
[ 1, 1, 1 ]
3
[ [ 3.8981385, 0, 0 ], [ 1.94906925, 3.37588697, 0 ], [ 1.94906925, 1.12529565, 7.69427578 ] ]
agm005102797
[ [ 1.9490692499999998, 1.1252956516329726, 5.809594320334182 ], [ 1.9490692305093071, 1.1252956442113835, 1.387654634876189 ], [ 3.8981385194906926, 2.250591320953504, 4.192748830886735 ], [ 3.8981365509307495, 2.2505901879064893, 0.1514081896271134 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "Ge", "Ge", "Te", "As" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 1.8966323, 0, 0 ], [ 0, 1.8966323, 0 ], [ 0, 0, 2.2087162 ] ]
-16.83099
[ 0, 0, 0, 0 ]
[ [ 0, 0, -0.00201427 ], [ 0, 0, 0.0033155 ], [ 0, 0, -0.00395805 ], [ 0, 0, 0.00265682 ] ]
0
1.355578
pbe
true
4161716aa7b74940df375ee6a8342efe_160_Ge2Te1As1
[ "As", "Hg", "Pb" ]
7
A4B2C
As2HgPb4
Hg1 As2 Pb4
3
[ 1, 1, 1 ]
3
[ [ 4.08211475, -0.00005038, -0.00002972 ], [ 0.00008744, 6.75022977, -2.25923364 ], [ 0.0000254, 0.29421592, 8.03986829 ] ]
agm005920015
[ [ 2.0409185765299984, 1.8752601925233734, 1.5692054341431512 ], [ 2.040981423858464, 5.169141754732478, 4.211401510109095 ], [ 0.0002997212604373, 1.8948327457929361, 5.306071415377652 ], [ 0.0003132184979412, 5.149606101645803, 0.47455379984297136 ], [ 4.081998374145451, 3.522176866717936, 2.890288331112956 ], [ 2.0413880319653734, 6.8973092086126115, 1.7606824440313282 ], [ 4.081872272459248, -0.0000448563624487, -0.0000301010375882 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]
[ "Pb", "Pb", "Pb", "Pb", "As", "As", "Hg" ]
2023-11-16 06:57:59
[ 0.2857142857142857, 0.14285714285714285, 0.5714285714285714 ]
[ [ 3.803705, -0.00023863, 0.00005032 ], [ -0.00023863, 3.6591694, 0.00896103 ], [ 0.00005039, 0.00896103, 3.8314881 ] ]
-24.034947
[ 0, 0, 0, 0, 0, 0, 0 ]
[ [ -1.6e-7, 0.00076043, 0.00525878 ], [ -0.00001076, -0.00075923, -0.00525848 ], [ -0.00001724, -0.00141837, -0.00233585 ], [ -0.0000039, 0.00141664, 0.00233695 ], [ 0.00002261, -0.00000276, -0.0000012 ], [ -0.00003504, 0.00000161, -1.4e-7 ], [ 0.00004448, 0.00000168, -6e-8 ] ]
-0
2.854508
pbe
true
db1ad3f992f15ab87d9f6cf887ec3f8e_10_Hg1As2Pb4
[ "As", "Ho", "Tc" ]
3
ABC
AsHoTc
As1 Ho1 Tc1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.15341, 3.15341 ], [ 3.15341, 0, 3.15341 ], [ 3.15341, 3.15341, 0 ] ]
oqmd-3091343
[ [ 0, 0, 0 ], [ 1.5767099999999985, 1.5767099999999985, 1.5767099999999985 ], [ 4.7301199999999985, 4.7301199999999985, 4.7301199999999985 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
[ "As", "Ho", "Tc" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 7.59493, 0, 0 ], [ 0, 7.59493, 0 ], [ 0, 0, 7.59493 ] ]
-20.2483
[ 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.45465
null
pbe
true
50dfc5385af5406fe8c8b24b938faec3_216_Ho1Tc1As1
[ "As", "I", "In" ]
6
A3B2C
As2IIn3
In3 As2 I1
3
[ 1, 1, 1 ]
3
[ [ 6.80436855, 0.00054421, 0 ], [ -0.00057038, 4.14759625, 0 ], [ 0, 0, 21.16898923 ] ]
agm2000072376
[ [ 5.004431244557175, 2.981585585646999, 10.1702037359259 ], [ 1.7979517946167827, 2.9811371822646535, 10.170007922775524 ], [ 6.8042328063049995, 0.9049933108042318, 13.99583023425841 ], [ 3.401530986086056, 0.9072310823095173, 9.238830023254453 ], [ 6.803483773472001, 2.9782168321914817, 12.105254479053539 ], [ 6.803320089965774, 2.9878973503300936, 7.826841083042284 ] ]
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}]
[ "In", "In", "In", "As", "As", "I" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.16666666666666666, 0.5 ]
[ [ 0.70200384, 0.00181267, -0.00026753 ], [ 0.00181281, 0.6198018, -0.00325341 ], [ -0.00026751, -0.00325334, 0.0211203 ] ]
-18.91355
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0.00446498, -0.00123347, -0.00075979 ], [ -0.00433865, -0.00122108, -0.00066533 ], [ 0.00002784, -0.0021775, 0.00876766 ], [ -0.00004045, 0.00317607, -0.00125211 ], [ -0.00012819, 0.00302956, -0.00200572 ], [ 0.00001447, -0.00157358, -0.00408471 ] ]
0
0.309673
pbe
true
d97560948929a909927bc12272773e08_6_In3As2I1
[ "As", "K", "Pb" ]
12
A3B2C
As2KPb3
K2 As4 Pb6
3
[ 1, 1, 1 ]
3
[ [ 4.00212763, 0.00003648, 1.10187565 ], [ 0.73841819, 7.62992931, 5.13788607 ], [ -1.12647879, -0.87055654, 11.91206428 ] ]
agm005867503
[ [ 3.4977777674158825, 0.4061868805232415, 2.9339732973573955 ], [ 0.11628926258411816, 6.353222369476758, 15.217852702642602 ], [ 1.0424004800353317, 1.1583116720202393, 11.853443725632362 ], [ 2.571666549964669, 5.60109757797976, 6.298382274367637 ], [ 2.8641421189574054, 5.413754430873651, 13.055902192344773 ], [ 0.7499249110425946, 1.3456548191263478, 5.095923807655229 ], [ 0.5763259451025655, 3.307500149600727, 13.546597987304875 ], [ 3.361458456972438, 2.76887701228018, 11.249297547970043 ], [ 2.222590597877974, 0.8491303613845445, 7.566259652883622 ], [ 1.391476432122026, 5.910278888615455, 10.585566347116377 ], [ 0.25260857302756257, 3.99053223771982, 6.902528452029957 ], [ 3.0377410848974344, 3.4519091003992717, 4.605228012695124 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}]
[ "K", "K", "As", "As", "As", "As", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.16666666666666666, 0.5 ]
[ [ 3.5556662, -0.0017957, 0.0105899 ], [ -0.00179571, 3.5313067, 0.00675404 ], [ 0.0105899, 0.00675402, 3.5206115 ] ]
-44.550538
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00015163, 0.00091417, 0.00055083 ], [ 0.00015163, -0.00091417, -0.00055083 ], [ -0.00047552, 0.00213774, 0.00172746 ], [ 0.00047552, -0.00213774, -0.00172746 ], [ 0.00109386, -0.00143646, -0.00397362 ], [ -0.00109386, 0.00143646, 0.00397362 ], [ 0.00063493, -0.00263997, -0.00230653 ], [ -0.0003005, -0.0026492, 0.00109152 ], [ -0.00082033, -0.00015547, 0.00297992 ], [ 0.00082033, 0.00015547, -0.00297992 ], [ 0.0003005, 0.0026492, -0.00109152 ], [ -0.00063493, 0.00263997, 0.00230653 ] ]
0
4.513855
pbe
true
439c56dd12142818877bef7792853b83_12_K2As4Pb6
[ "As", "K", "Si" ]
12
A5B5C2
As5K5Si2
K5 Si2 As5
3
[ 1, 1, 1 ]
3
[ [ 3.69245492, 0, 0 ], [ -1.84622746, 8.00399331, 0.2876791 ], [ 0, -3.22857615, 11.3793324 ] ]
agm003373513
[ [ 1.84622746, -1.614288075, 5.6896662 ], [ 1.8462293062274602, 2.384239874457482, 1.1811566657000638 ], [ 1.8462292877651851, 3.4248320002594257, 4.470146452334795 ], [ -0.0000018277651853490076, 1.350585159740575, 7.196865047665204 ], [ -0.0000018462274598616258, 2.3911772855425184, 10.485854834299936 ], [ 0.0000018646897346025364, -2.211031425856118, 9.154986329962272 ], [ 1.846225595310265, 6.986448585856119, 2.512025170037727 ], [ 1.8462274564541935e-8, 0.6870289899550723, 3.8717338909726906 ], [ 1.846225595310265, -0.6876977834227398, 9.083895061549738 ], [ 0.0000018646897347978385, 5.46311494342274, 2.583116438450261 ], [ 1.8462274415377251, 4.088388170044928, 7.795277609027309 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "K", "K", "K", "K", "K", "Si", "Si", "As", "As", "As", "As", "As" ]
2023-11-16 06:57:59
[ 0.4166666666666667, 0.4166666666666667, 0.16666666666666666 ]
[ [ 1.073408, 0, 0 ], [ 0, 1.1724073, -0.0413133 ], [ 0, -0.04131329, 1.1279824 ] ]
-42.911091
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, -0.00335358, -0.00232658 ], [ 0, 0.00128403, -0.00235045 ], [ 0, -0.00128403, 0.00235045 ], [ 0, 0.00335358, 0.00232658 ], [ 0, -0.00286622, -0.00201149 ], [ 0, 0.00286622, 0.00201149 ], [ 0, 0.0017314, -0.00174872 ], [ 0, -0.00365958, -0.00143073 ], [ 0, 0.00365958, 0.00143073 ], [ 0, -0.0017314, 0.00174872 ], [ 0, 0, 0 ] ]
0.000032
1.900932
pbe
true
f003bdfd9158098fe033904912d06963_12_K5Si2As5
[ "As", "K", "Tl" ]
4
A2BC
AsK2Tl
K2 Tl1 As1
3
[ 1, 1, 1 ]
3
[ [ 3.45498998, 0, 0 ], [ 0, 3.45498998, 0 ], [ 0, 0, 11.00150022 ] ]
agm004225793
[ [ 1.72749499, 1.72749499, 8.251125165000001 ], [ 0, 0, 10.52522371253577 ], [ 0, 0, 5.977026617464231 ], [ 1.72749499, 1.72749499, 2.750375055 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}]
[ "As", "K", "K", "Tl" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 2.457395, 0, 0 ], [ 0, 2.457395, 0 ], [ 0, 0, 2.3742032 ] ]
-9.472503
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.00243538 ], [ 0, 0, -0.00243538 ], [ 0, 0, 0 ] ]
-0.00001
2.860369
pbe
true
cf58af0a6073b6d742457bbc52e4cd4f_123_K2Tl1As1
[ "As", "La", "P" ]
4
A2BC
AsLaP2
La1 As1 P2
3
[ 1, 1, 1 ]
3
[ [ 4.94467367, 0, 0 ], [ 2.47233684, 4.28221301, 0 ], [ 2.47233684, 1.42740434, 4.03730915 ] ]
agm004353098
[ [ 4.944673675000001, 2.854808675, 2.018654575 ], [ 7.417010512500001, 4.282213012500001, 3.0279818625 ], [ 0, 0, 0 ], [ 2.4723368375000003, 1.4274043375, 1.0093272875 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}]
[ "As", "La", "P", "P" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 0.19348863, 0, 0 ], [ 0, 0.19348863, 0 ], [ 0, 0, 0.19348863 ] ]
-20.87615
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000001
2.1833
pbe
true
267e280a405c9102a430178994fc285e_216_La1As1P2
[ "As", "Mg", "Re" ]
4
A2BC
AsMgRe2
Mg1 Re2 As1
3
[ 1, 1, 1 ]
3
[ [ 8.72169955, -0.01330601, -0.00782855 ], [ 8.23287163, 2.87889648, -0.00782855 ], [ 8.23287163, 1.39148541, 2.52029256 ] ]
agm004297276
[ [ 6.2968607025, 1.06426897, 0.6261588650000001 ], [ 18.8905821075, 3.19280691, 1.8784765950000002 ], [ 24.97121919220213, 4.22053067154207, 2.4831342165227936 ], [ 12.80994502279787, 2.16508314845793, 1.2738189734772067 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"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"]}]
[ "As", "Mg", "Re", "Re" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 5.395052, 0.06306602, 0.03710467 ], [ 0.06306602, 5.0325747, 0.00627128 ], [ 0.03710467, 0.00627128, 5.025605 ] ]
-29.495042
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00298321, 0.00050421, 0.00029665 ], [ -0.00298321, -0.00050421, -0.00029665 ] ]
0.000408
4.520209
pbe
true
f0715fc2174842dd7671331f68f0e293_166_Mg1Re2As1
[ "As", "N", "Si" ]
8
A2BC
AsN2Si
Si2 As2 N4
3
[ 1, 1, 1 ]
3
[ [ 4.9220798, 0, 0 ], [ 0, 4.9220798, 0 ], [ 2.4610399, 2.4610399, 4.03495293 ] ]
agm002860638
[ [ 0, 0, 0 ], [ 4.9220798, 2.4610399, 2.017476465 ], [ 2.4610399, 2.4610399, 0 ], [ 2.4610399, 4.9220798, 2.017476465 ], [ 3.172146747412632, 1.23051995, 1.0087382325 ], [ 1.7499330525873678, 3.6915598499999995, 1.0087382325 ], [ 3.69155985, 4.210972952587368, 3.0262146975000004 ], [ 6.152599749999999, 5.633186647412631, 3.0262146975000004 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "As", "As", "Si", "Si", "N", "N", "N", "N" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 0.42008206, 0, 0 ], [ 0, 0.42008206, 0 ], [ 0, 0, -1.060152 ] ]
-53.171985
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00608584, 0, 0 ], [ 0.00608584, 0, 0 ], [ 0, 0.00608584, 0 ], [ 0, -0.00608584, 0 ] ]
0
2.463067
pbe
true
dda3f74c0cd59f3195b2a62fea319d96_122_Si2As2N4
[ "As", "Nd", "Rh" ]
9
ABC
AsNdRh
Nd3 As3 Rh3
3
[ 1, 1, 1 ]
3
[ [ 4.21968417, 0, 0 ], [ 0, 7.02048858, 0 ], [ 0, -3.51024429, 6.07992146 ] ]
agm002253661
[ [ 0, -0.8280327190511586, 1.4341947403726965 ], [ 0, 2.6822115709488417, 4.645726719627304 ], [ 0, 1.6560654381023172, 0 ], [ 2.109842085, 0, 0 ], [ 0, -3.5102443141723876e-8, 4.0532809935997385 ], [ 0, 3.5102443251024433, 2.026640466400262 ], [ 2.109842085, 0.5865889901498047, 6.07992146 ], [ 2.109842085, 1.461827649925098, 2.53195976272095 ], [ 2.109842085, 4.972071939925097, 3.547961697279051 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Rh", "Rh", "Rh", "As", "As", "As", "Nd", "Nd", "Nd" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 4.1310477, 0, 0 ], [ 0, 3.5156088, 0 ], [ 0, 0, 3.5156088 ] ]
-59.591965
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00474737, -0.00822268 ], [ 0, 0.00474737, 0.00822268 ], [ 0, -0.00949473, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00720706, 0 ], [ 0, -0.00360353, -0.0062415 ], [ 0, -0.00360353, 0.0062415 ] ]
0
6.467252
pbe
true
d7be5d610ed079287cbcb5b018d7d4eb_189_Nd3As3Rh3
[ "As", "Ni", "S" ]
6
A3B2C
AsNi3S2
Ni3 As1 S2
3
[ 1, 1, 1 ]
3
[ [ 4.32746479, -0.31130221, 0 ], [ -1.03907667, 3.92728442, 0 ], [ 0, 0, 18.6509361 ] ]
agm2000081077
[ [ -0.36085469279499816, 2.381595603463208, 9.336700762775585 ], [ 1.886330350657716, 3.5067479002321886, 9.253224581563455 ], [ 1.6692636962547736, 1.2675666849056253, 10.522138594505263 ], [ 1.422728296532634, 1.1313327926600858, 8.222710750548428 ], [ 0.722259190665502, 3.0998066810342797, 11.134484822974935 ], [ 2.953971799749222, 2.737656130916361, 7.4835487876323326 ] ]
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]
[ "Ni", "Ni", "Ni", "As", "S", "S" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.5, 0.3333333333333333 ]
[ [ -1.7318537, -0.03139891, 0.04980443 ], [ -0.03139898, -1.6390345, -0.11716679 ], [ 0.04980434, -0.11716673, -3.1787727 ] ]
-31.073673
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0.00074736, -0.00083519, 0.00205621 ], [ 0.00206556, 0.003699, 0.00547986 ], [ 0.00323308, -0.00158164, 0.00716618 ], [ -0.00188238, 0.00101512, -0.00225458 ], [ 0.00014385, 0.00006691, -0.00552683 ], [ -0.00430747, -0.0023642, -0.00692085 ] ]
0
5.132722
pbe
true
6b3d19238c59686ac453b823dbcc4b27_1_Ni3As1S2
[ "As", "O", "Tb" ]
16
A4B3C
As3OTb4
Tb8 As6 O2
3
[ 1, 1, 1 ]
3
[ [ 5.79461516, 0, 0 ], [ 0, 5.7923717, 0 ], [ 0, 0, 11.33322675 ] ]
agm003555746
[ [ 0.3619894352067452, 4.74272617721111, 0 ], [ 3.6630232091341193, 1.4622029107663321, 0 ], [ 0.36576271476048244, 1.4373001725825412, 2.8055991014093324 ], [ 3.2630702947604826, 4.355071527417459, 2.861014273590668 ], [ 0.7657156291341192, 4.330168789233668, 5.666613375 ], [ 3.2592970152067453, 1.0496455227888901, 5.666613375 ], [ 3.2630702947604826, 4.355071527417459, 8.472212476409332 ], [ 0.36576271476048244, 1.4373001725825412, 8.527627648590666 ], [ 3.265198193339538, 4.359549030741559, 0 ], [ 0.367892583508692, 4.3304292142653, 2.831637303199725 ], [ 3.265200163508692, 1.4619424857346999, 2.834976071800275 ], [ 0.3678906133395376, 1.4328226692584412, 5.666613375 ], [ 3.265200163508692, 1.4619424857346999, 8.498250678199724 ], [ 0.367892583508692, 4.3304292142653, 8.501589446800274 ], [ 0.0228619587599608, 1.1063125268248581, 0 ], [ 2.920169538759961, 4.686059173175142, 5.666613375 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}]
[ "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "As", "As", "As", "As", "As", "As", "O", "O" ]
2023-11-16 06:57:59
[ 0.375, 0.125, 0.5 ]
[ [ 0.30727452, 0, 0 ], [ 0, 0.31752577, 0 ], [ 0, 0, 0.3468495 ] ]
-103.378503
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00083624, -0.00189707, 0 ], [ -0.00121977, -0.00197754, 0 ], [ -0.00218206, -0.00108441, 0.00006678 ], [ -0.00218206, 0.00108441, -0.00006678 ], [ -0.00121977, 0.00197754, 0 ], [ -0.00083624, 0.00189707, 0 ], [ -0.00218206, 0.00108441, 0.00006678 ], [ -0.00218206, -0.00108441, -0.00006678 ], [ 0.00189734, 0.00086274, 0 ], [ 0.00072717, 0.00077487, 0.0001055 ], [ 0.00072717, -0.00077487, -0.0001055 ], [ 0.00189734, -0.00086274, 0 ], [ 0.00072717, -0.00077487, 0.0001055 ], [ 0.00072717, 0.00077487, -0.0001055 ], [ 0.00306845, 0.00309858, 0 ], [ 0.00306845, -0.00309858, 0 ] ]
0.000005
5.104329
pbe
true
318d29b45702176a4528db00e5959ed3_31_Tb8As6O2
[ "As", "Os", "Tc" ]
16
A6BC
As6OsTc
Tc2 As12 Os2
3
[ 1, 1, 1 ]
3
[ [ 7.06499953, -0.02679584, -2.49247981 ], [ -3.50124267, 6.13654704, -2.4922835 ], [ -0.0100292, -0.01027303, 7.49085389 ] ]
agm005803380
[ [ -1.750621335, 3.06827352, -1.24614175 ], [ 3.532499765, -0.01339792, -1.246239905 ], [ -1.2490192618047975, 3.9813889686656965, 3.986968425331206 ], [ 4.802746921804798, 2.1180892013343033, -1.4808778453312057 ], [ 3.719380729045862, 4.006432141991314, 0.05910534334252887 ], [ -0.16565306904586338, 2.093046028008686, 2.4469852366574716 ], [ 5.146918839409337, 0.8625660377484742, 2.5310529077691446 ], [ -1.5931911794093367, 5.2369121322515255, -0.024962327769143797 ], [ 0.5990044234202814, 5.204673258151482, 1.502796684809112 ], [ 2.9547232365797185, 0.8948049118485178, 1.0032938951908887 ], [ 1.8186067041228842, 4.896809288299473, -2.5219118423343323 ], [ 1.735120955877116, 1.2026688817005267, 5.028002422334333 ], [ 2.8328360881557284, 3.0845938696510786, 3.4925935837370212 ], [ 0.7208915718442716, 3.0148843003489207, -0.9865030037370202 ], [ -0.0050146, -0.005136515, 3.745426945 ], [ 1.77686383, 3.049739085, 1.2530452900000002 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
[ "Tc", "Tc", "As", "As", "As", "As", "As", "As", "As", "As", "As", "As", "As", "As", "Os", "Os" ]
2023-11-16 06:57:59
[ 0.75, 0.125, 0.125 ]
[ [ 2.2023842, -0.0267147, -0.01098389 ], [ -0.02671277, 2.1742294, -0.01630102 ], [ -0.01098152, -0.0163024, 2.1441147 ] ]
-99.405158
[ 0.018, 0.018, 0, 0, 0.001, 0.001, 0, 0, 0, 0, 0, 0, 0, 0, 0.003, 0.003 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00256455, 0.00138825, 0.00353503 ], [ -0.00256455, -0.00138825, -0.00353503 ], [ 0.01038912, -0.00554278, 0.00063379 ], [ -0.01038912, 0.00554278, -0.00063379 ], [ -0.00502102, 0.00237513, 0.00585974 ], [ 0.00502102, -0.00237513, -0.00585974 ], [ -0.00191864, 0.00769388, 0.00152032 ], [ 0.00191864, -0.00769388, -0.00152032 ], [ -0.0050911, -0.0036759, -0.00477041 ], [ 0.0050911, 0.0036759, 0.00477041 ], [ 0.00348974, 0.00093051, 0.0070103 ], [ -0.00348974, -0.00093051, -0.0070103 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.057596
16.522408
pbe
true
9ded4aa62bb0d0286db27087edca7b06_12_Tc2As12Os2
[ "As", "Os", "Tl" ]
4
A2BC
AsOs2Tl
Tl1 As1 Os2
3
[ 1, 1, 1 ]
3
[ [ 2.89269139, -0.00524601, 0 ], [ -1.46681892, 2.49321745, 0 ], [ 0, 0, 10.67714114 ] ]
agm003792535
[ [ 0, 0, 4.999594828515508 ], [ 0, 0, 0.100330959864352 ], [ 0.712936235, 1.24398572, 2.2679778883399475 ], [ 0.712936235, 1.24398572, 8.647808140051604 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}]
[ "Tl", "Os", "Os", "As" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 7.6698613, 0.27113387, 0 ], [ 0.27113387, 7.9875674, 0 ], [ 0, 0, 8.387507 ] ]
-26.455436
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0.00207018 ], [ 0, 0, -0.02485107 ], [ 0, 0, 0.02326727 ], [ 0, 0, -0.00048638 ] ]
-0.00044
4.176379
pbe
true
d8e56681f53328b0179f622df791221d_35_Tl1As1Os2
[ "As", "Pd", "Tc" ]
4
A2BC
AsPd2Tc
Tc1 As1 Pd2
3
[ 1, 1, 1 ]
3
[ [ 0, 3.18361426, 3.18361426 ], [ 3.18361426, 0, 3.18361426 ], [ 3.18361426, 3.18361426, 0 ] ]
agm002637524
[ [ 0, 0, 0 ], [ 3.18361426, 3.18361426, 3.18361426 ], [ 1.59180713, 1.59180713, 1.59180713 ], [ 4.77542139, 4.77542139, 4.77542139 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "As", "Tc", "Pd", "Pd" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 9.03032, 0, 0 ], [ 0, 9.03032, 0 ], [ 0, 0, 9.03032 ] ]
-24.358992
[ 0.005, 2.452, 0.158, 0.158 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.042534
3.153128
pbe
true
c33a2a38c6ef74ee0491c8c9f4e8a46b_225_Tc1As1Pd2
[ "As", "Pd", "Pt" ]
10
A3BC
AsPdPt3
As2 Pd2 Pt6
3
[ 1, 1, 1 ]
3
[ [ 3.82843385, -0.00131419, -0.71084922 ], [ -0.09294888, 5.70350268, -0.58762437 ], [ -0.58602801, 0.94150178, 7.38408634 ] ]
agm005834716
[ [ -0.10961450343526932, 4.577350926740282, 2.0615277854960055 ], [ 2.486501255252519, 3.512786730129628, 5.307293855736134 ], [ 2.613156942688953, 1.077210575700844, 6.039349862487118 ], [ -0.143312107928313, 1.3094842009524459, 1.9171544735058714 ], [ 2.016800346284345, 5.983208786656744, 2.7798955999142296 ], [ 0.36007875374962495, 2.106918351531775, 4.58898020364462 ], [ 1.4531721160171565, 2.155838159021003, -0.15168892730938438 ], [ 0.4301956803187196, 4.976421935208279, 4.898008784332757 ], [ 1.5097581476574038, 4.992870805012826, 0.13649472452787442 ], [ 1.9467046010393203, 3.1137697608219503, 2.4709152397285723 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "As", "As", "Pd", "Pd", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ 4.9192386, 0.01399838, 0.27384645 ], [ 0.01399847, 6.234416, 0.26569167 ], [ 0.2738463, 0.2656916, 6.4362235 ] ]
-57.139909
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.0002212, -0.00135798, 0.0027871 ], [ -0.0002212, 0.00135798, -0.0027871 ], [ -0.00096538, 0.0053402, -0.00270705 ], [ 0.00096538, -0.0053402, 0.00270705 ], [ -0.00087479, 0.00037505, -0.00567343 ], [ 0.00087479, -0.00037505, 0.00567343 ], [ -0.00108131, -0.00376497, -0.00271978 ], [ 0.00127801, 0.00292012, 0.00079174 ], [ 0.00108131, 0.00376497, 0.00271978 ], [ -0.00127801, -0.00292012, -0.00079174 ] ]
0
6.258742
pbe
true
dc692e7f1270c2d7b2c8ba319398f291_2_As2Pd2Pt6
[ "As", "Re", "Zr" ]
5
A3BC
AsRe3Zr
Zr1 Re3 As1
3
[ 1, 1, 1 ]
3
[ [ 4.54626804, 0, 0 ], [ 0, 4.54626804, 0 ], [ 0, 0, 4.54626804 ] ]
agm002402806
[ [ 0, 2.27313402, 0 ], [ 0, 0, 2.27313402 ], [ 2.27313402, 0, 0 ], [ 0, 0, 0 ], [ 2.27313402, 2.27313402, 2.27313402 ] ]
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}]
[ "Re", "Re", "Re", "As", "Zr" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.2 ]
[ [ 10.589306, 0, 0 ], [ 0, 10.589306, 0 ], [ 0, 0, 10.589306 ] ]
-45.570787
[ -0.001, -0.001, 0.002, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000017
3.838163
pbe
true
eb5ae924d18b4c97d6c33bb143a98da9_221_Zr1Re3As1
[ "As", "Rh", "U" ]
8
A2BC
As2RhU
U2 As4 Rh2
3
[ 1, 1, 1 ]
3
[ [ 3.99141796, 0, 0 ], [ 0, 3.99141796, 0 ], [ 0, 0, 9.31950441 ] ]
agm002368939
[ [ 0.99785449, 2.9935634700000002, 0 ], [ 2.9935634700000002, 0.99785449, 0 ], [ 0.99785449, 0.99785449, 1.66209633350586 ], [ 2.9935634700000002, 2.9935634700000002, 7.65740807649414 ], [ 2.9935634700000002, 0.99785449, 4.659752205 ], [ 0.99785449, 2.9935634700000002, 4.659752205 ], [ 2.9935634700000002, 2.9935634700000002, 2.408063855453533 ], [ 0.99785449, 0.99785449, 6.911440554546467 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Rh", "Rh", "As", "As", "As", "As", "U", "U" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 3.993007, 0, 0 ], [ 0, 3.993007, 0 ], [ 0, 0, 4.063509 ] ]
-61.170367
[ -0.024, -0.024, -0.021, -0.021, -0.026, -0.026, 1.476, 1.476 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00908421 ], [ 0, 0, 0.00908421 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00392011 ], [ 0, 0, -0.00392011 ] ]
2.98363
11.264724
pbe
true
ddb6e932408ee037c633348eeed32363_129_U2As4Rh2
[ "As", "Ru", "Y" ]
4
A2BC
As2RuY
Y1 As2 Ru1
3
[ 1, 1, 1 ]
3
[ [ 3.59181718, 0, 0 ], [ 0, 3.59181718, 0 ], [ 0, 0, 5.94125942 ] ]
agm003800823
[ [ 1.79590859, 1.79590859, 4.6476433402427055 ], [ 0, 0, 2.568620926731062 ], [ 0, 0, 5.918270904926194 ], [ 1.79590859, 1.79590859, 1.7186133781000383 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Ru", "As", "As" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 2.2017698, 0, 0 ], [ 0, 2.2017698, 0 ], [ 0, 0, 2.2705388 ] ]
-26.565758
[ -0.011, 0.539, 0.006, 0.003 ]
[ [ 0, 0, -0.02437481 ], [ 0, 0, 0.0045996 ], [ 0, 0, 0.01412241 ], [ 0, 0, 0.0056528 ] ]
0.556529
3.104508
pbe
true
e918bf8a266352400c7dc240f59a5ff2_99_Y1As2Ru1
[ "As", "S", "Sm" ]
14
A4B2C
As2SSm4
Sm8 As4 S2
3
[ 1, 1, 1 ]
3
[ [ 7.21243124, 0, -2.47942692 ], [ -3.65368075, 6.18022873, -2.57334687 ], [ 0.09493027, 0, 7.62612066 ] ]
agm005987697
[ [ 4.62609789895614, 1.6061002287005195, 4.180646304644383 ], [ 4.928388723182057, 3.8442499157243595, 1.6559934643801524 ], [ 1.8409222306205324, 4.57412850129948, 0.37418130940817285 ], [ -0.4343665777587301, 2.33597881427564, 1.5092195315672925 ], [ 3.1718489678878936, 0.7541355507243597, 0.26950602010035535 ], [ 1.7934570957193032, 4.696214593700519, -3.4388790205918274 ], [ 1.0198822788573687, 1.4840141362994803, 5.420359764644383 ], [ -2.3315075774645657, 5.4260931792756395, 0.3223601058470894 ], [ -0.3998605043014837, 5.370795335504816, 2.5079469776365197 ], [ 2.2741659280614988, 2.280680970504816, 2.59177916124282 ], [ 5.880381546871214, 0.8094333944951838, 1.3520657012428197 ], [ -0.44732554556149934, 3.8995477594951837, -1.3051057262428196 ], [ 3.6062156225, 3.090114365, -1.23971346 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "As", "As", "As", "As", "S", "S" ]
2023-11-16 06:57:59
[ 0.2857142857142857, 0.14285714285714285, 0.5714285714285714 ]
[ [ 0.3373082, 0, -0.02438028 ], [ 0, 0.37192374, 0 ], [ -0.02438028, 0, 0.35475233 ] ]
-83.732402
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00286647, 0.00096155, -0.00128979 ], [ -0.00186249, -0.00270508, -0.00013567 ], [ -0.00024886, -0.00096155, 0.00313341 ], [ -0.00075511, 0.00270508, -0.00170795 ], [ -0.00075511, -0.00270508, -0.00170795 ], [ -0.00024886, 0.00096155, 0.00313341 ], [ 0.00286647, -0.00096155, -0.00128979 ], [ -0.00186249, 0.00270508, -0.00013567 ], [ 0.00091633, -0.00159133, -0.00130103 ], [ -0.00091633, -0.00159133, 0.00130103 ], [ -0.00091633, 0.00159133, 0.00130103 ], [ 0.00091633, 0.00159133, -0.00130103 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000299
12.6986
pbe
true
cd51a043d836b1017648feace1f306a0_122_Sm8As4S2
[ "As", "Si", "Y" ]
4
A2BC
AsSiY2
Y2 Si1 As1
3
[ 1, 1, 1 ]
3
[ [ 4.1265605, 0, 0 ], [ 0, 4.1265605, 0 ], [ 0, 0, 5.81595337 ] ]
agm004038612
[ [ 0, 0, 2.181317105547376 ], [ 2.06328025, 2.06328025, 5.08873929755308 ], [ 0, 0, 5.088710915700634 ], [ 2.06328025, 2.06328025, 2.181116106198909 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "As", "Si", "Y", "Y" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 0.8207305, 0, 0 ], [ 0, 0.8207305, 0 ], [ 0, 0, 0.76322293 ] ]
-26.997962
[ 0, 0, 0, 0 ]
[ [ 0, 0, -0.00323433 ], [ 0, 0, 0.00207372 ], [ 0, 0, 0.00333157 ], [ 0, 0, -0.00217096 ] ]
-0.000001
3.162482
pbe
true
4da07ace990ceb6e22be838a383a8c24_123_Y2Si1As1
[ "As", "Si", "U" ]
3
ABC
AsSiU
U1 Si1 As1
3
[ 1, 1, 1 ]
3
[ [ 2.80773103, 0, 0 ], [ 0, 4.7294607, 0 ], [ 0, -2.36473035, 4.09583311 ] ]
agm001276921
[ [ 2.340827372322275, 0, 0 ], [ 0.9355922742031514, 2.3647303736473035, 1.3652776896805563 ], [ 2.3390423853972626, -2.3647303727469354e-8, 2.730555420319444 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "As", "U", "Si" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 2.5359554, 0, 0 ], [ 0, 2.3255317, 0 ], [ 0, 0, 2.3255317 ] ]
-21.742344
[ -0.007, 0.577, -0.004 ]
[ [ -0.00306743, 0, 0 ], [ 0.00106188, 0, 0 ], [ 0.00200555, 0, 0 ] ]
0.591031
4.28518
pbe
true
dc2d117b0f752781939930d9f6be31a9_187_U1Si1As1
[ "As", "Tl", "Y" ]
4
A2BC
AsTlY2
Y2 Tl1 As1
3
[ 1, 1, 1 ]
3
[ [ 6.73556624, 0.16437978, 0.03201235 ], [ 3.92647524, 5.47518622, -0.03201252 ], [ -5.084769, -3.28533532, 2.95763243 ] ]
agm004110403
[ [ 5.417828686613978, 2.2698946925835606, 2.9576322625422375 ], [ 3.0795684959057477, -0.3681601623234001, 1.494822354058583 ], [ 2.4669704362873226, 2.7061346805370805, 1.4628099064314453 ], [ 5.5211978679521225, 2.92037503641144, -8.803226280043018e-8 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Y", "Tl", "As" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 1.792853, -0.10184751, 0.0113525 ], [ -0.10184751, 1.9315325, -0.02145892 ], [ 0.0113525, -0.02145892, 1.977297 ] ]
-22.566547
[ 0, 0, 0, 0 ]
[ [ -0.00553585, -0.00292813, 0 ], [ 0.00627778, 0.00332056, 0 ], [ 0.00124505, 0.00065855, 0 ], [ -0.00198697, -0.00105099, 0 ] ]
-0.000007
2.823149
pbe
true
c790b6c3b19342ca57f3dae3d789da06_44_Y2Tl1As1
[ "Au", "B", "Ge" ]
12
ABC
AuBGe
Ge4 B4 Au4
3
[ 1, 1, 1 ]
3
[ [ 4.82182188, 0, 0 ], [ 0, 6.73872386, -1.06185813 ], [ 0, -0.99862398, 6.18193867 ] ]
agm001003993
[ [ 1.3146784630796027, 3.382914345042605, 4.442365358505488 ], [ 3.725589403079603, 5.726547464957395, 0.14678611649451198 ], [ 3.507143416920397, 2.357185534957395, 0.677715181494512 ], [ 1.0962324769203973, 0.013552415042604866, 4.973294423505488 ], [ 1.755874586480977, 6.225303469748585, -0.8329128425576603 ], [ 4.166785526480977, 2.8841583402514153, 5.42206431755766 ], [ 3.0659472935190224, -0.48520358974858524, 5.95299338255766 ], [ 0.6550363535190228, 2.855941539748586, -0.30198377755766037 ], [ 1.2069054882757535, 2.8919589680864695, 1.8147940055058345 ], [ 3.617816428275754, -0.5212210180864694, 3.8362155994941656 ], [ 3.614916391724246, 2.848140911913531, 3.3052865344941655 ], [ 1.2040054517242464, 6.26132089808647, 1.2838649405058344 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Ge", "Ge", "Ge", "Ge", "B", "B", "B", "B", "Au", "Au", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 1.8009658, 0, 0 ], [ 0, 1.6194628, -0.0155447 ], [ 0, -0.0155448, 1.6145657 ] ]
-54.2259
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00182002, 0.00503631, 0.00132986 ], [ -0.00182002, -0.00503631, -0.00132986 ], [ 0.00182002, -0.00503631, -0.00132986 ], [ 0.00182002, 0.00503631, 0.00132986 ], [ -0.00146808, -0.00130945, 0.00179294 ], [ -0.00146808, 0.00130945, -0.00179294 ], [ 0.00146808, 0.00130945, -0.00179294 ], [ 0.00146808, -0.00130945, 0.00179294 ], [ -0.00195835, 0.00100488, -0.00106157 ], [ -0.00195835, -0.00100488, 0.00106157 ], [ 0.00195835, -0.00100488, 0.00106157 ], [ 0.00195835, 0.00100488, -0.00106157 ] ]
-0.000001
1.694441
pbe
true
ecd3fa5c1b559e8b0a17f75db135a99d_14_Ge4B4Au4
[ "Au", "B", "Hf" ]
12
ABC
AuBHf
Hf4 B4 Au4
3
[ 1, 1, 1 ]
3
[ [ 6.82647378, 0, 0 ], [ 0, 4.75398792, 0 ], [ 0, 0, 5.61272629 ] ]
agm003037887
[ [ 1.1394722045033503, 1.18849698, 1.9811845598979692 ], [ 2.2737646854966496, 3.56549094, 4.787547704897969 ], [ 5.68700157549665, 3.56549094, 3.6315417301020307 ], [ 4.55270909450335, 1.18849698, 0.825178585102031 ], [ 5.737614349131587, 1.18849698, 2.9626077498614527 ], [ 4.502096320868412, 3.56549094, 0.15624460486145242 ], [ 1.0888594308684119, 3.56549094, 2.6501185401385476 ], [ 2.3243774591315876, 1.18849698, 5.456481685138548 ], [ 0.2313429160483224, 1.18849698, 4.801422701050427 ], [ 3.181893973951677, 3.56549094, 1.9950595560504265 ], [ 6.5951308639516775, 3.56549094, 0.8113035889495737 ], [ 3.6445798060483225, 1.18849698, 3.6176667339495734 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Hf", "Hf", "Hf", "Hf", "B", "B", "B", "B", "Au", "Au", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 0.14624792, 0, 0 ], [ 0, 0.34681746, 0 ], [ 0, 0, 0.1957089 ] ]
-82.664869
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00295937, 0, 0.00186374 ], [ -0.00295937, 0, 0.00186374 ], [ -0.00295937, 0, -0.00186374 ], [ 0.00295937, 0, -0.00186374 ], [ 0.00216938, 0, 0.00373977 ], [ -0.00216938, 0, 0.00373977 ], [ -0.00216938, 0, -0.00373977 ], [ 0.00216938, 0, -0.00373977 ], [ 0.00353239, 0, -0.00265734 ], [ -0.00353239, 0, -0.00265734 ], [ -0.00353239, 0, 0.00265734 ], [ 0.00353239, 0, 0.00265734 ] ]
-0.000008
4.847132
pbe
true
908632443d68421a3c957af61d17d972_62_Hf4B4Au4
[ "Au", "B", "Ni" ]
6
ABC
AuBNi
Ni2 B2 Au2
3
[ 1, 1, 1 ]
3
[ [ 2.87907619, 0, 0 ], [ 0, 2.91512177, 0 ], [ 0, 0, 8.35611591 ] ]
agm002118330
[ [ 0, 0, 6.613875602981774 ], [ 0, 1.457560885, 2.435817647981774 ], [ 1.439538095, 0, 1.9884170803244858 ], [ 1.439538095, 1.457560885, 6.166475035324486 ], [ 1.439538095, 0, 4.34492399112504 ], [ 1.439538095, 1.457560885, 0.1668660361250403 ] ]
[{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Ni", "Ni", "B", "B", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ -5.2975097, 0, 0 ], [ 0, -5.2885494, 0 ], [ 0, 0, -5.7508926 ] ]
-30.877094
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.0000808 ], [ 0, 0, -0.0000808 ], [ 0, 0, -0.00044868 ], [ 0, 0, -0.00044868 ], [ 0, 0, 0.00052947 ], [ 0, 0, 0.00052947 ] ]
0
3.085259
pbe
true
a94201a80458a96f06705c6f82cf1549_38_Ni2B2Au2
[ "Au", "Cd", "Cr" ]
3
ABC
AuCdCr
Cr1 Cd1 Au1
3
[ 1, 1, 1 ]
3
[ [ 4.543455, 0, 0 ], [ 2.2717275, 3.93474745, 0 ], [ 2.2717275, 1.31158248, 3.70971547 ] ]
agm004094388
[ [ 4.543455, 2.623164965, 1.854857735 ], [ 6.8151825, 3.9347474475000004, 2.7822866025 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Au", "Cd", "Cr" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 6.23255, 0, 0 ], [ 0, 6.23255, 0 ], [ 0, 0, 6.23255 ] ]
-12.34852
[ 0.011, 0.027, 3.894 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
4.423694
1.826831
pbe
true
7a237bff681122d9c8ce30913f8e8ad5_216_Cr1Cd1Au1
[ "Au", "B", "Zr" ]
6
ABC
AuBZr
Zr2 B2 Au2
3
[ 1, 1, 1 ]
3
[ [ 4.85856711, -0.00780364, -0.00265249 ], [ -0.55989886, 6.70959463, -0.00342972 ], [ -1.00754524, -0.08179106, 2.96321561 ] ]
agm003040943
[ [ 2.8309398226292157, 3.5761470733544534, 0.05188148731606751 ], [ 1.8263919768801948, 3.076635548238852, 1.350638352216702 ], [ 1.7207983717814883, 5.4056981605086545, 1.3795896089020996 ], [ -0.656470765230416, 6.681611140471025, 0.6067560348214122 ], [ -0.7221346727182759, 3.719539583539133, 2.15635756091077 ], [ 1.38620272075932, 1.1489975117372868, 2.8014034577114235 ] ]
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "B", "B", "Au", "Au", "Zr", "Zr" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ -0.9423244, -0.8709188, -1.738292 ], [ -0.8709194, -1.0525793, -0.42630854 ], [ -1.7382917, -0.42630878, 2.7768433 ] ]
-39.1905
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0.03070571, 0.02483652, 0.01336065 ], [ 0.00232814, -0.02037227, 0.00094322 ], [ -0.00762028, 0.00037282, -0.00489129 ], [ 0.01181576, 0.00180584, 0.00607 ], [ -0.01525822, -0.00476507, -0.00634679 ], [ -0.0219711, -0.00187784, -0.00913578 ] ]
0
3.565096
pbe
true
68c414d68d5adf7eeac079db8032ef39_8_Zr2B2Au2
[ "Au", "Ba", "Ta" ]
4
A2BC
AuBa2Ta
Ba2 Ta1 Au1
3
[ 1, 1, 1 ]
3
[ [ 9.44720828, -0.00398136, -0.00239265 ], [ 8.35362666, 4.41210628, -0.00239265 ], [ 8.35362666, 2.06865745, 3.89709429 ] ]
agm004040251
[ [ 20.71598837998543, 5.130021423060549, 3.0829549864697974 ], [ 0.900394018130832, 0.2229698394052674, 0.1339967071359198 ], [ 5.635429131548752, 1.3955342918089113, 0.8386649974563077 ], [ 11.979880870334984, 2.966648000725271, 1.782846793937975 ] ]
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Au", "Ba", "Ba", "Ta" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 1.4184576, 0.01806049, 0.01085369 ], [ 0.01806049, 1.3499984, 0.00268776 ], [ 0.01085369, 0.00268776, 1.3471411 ] ]
-18.135157
[ 0.011, 0.037, 0.042, 0.078 ]
[ [ -0.00204355, -0.00050606, -0.00030412 ], [ 0.00593775, 0.0014704, 0.00088366 ], [ -0.00294141, -0.0007284, -0.00043774 ], [ -0.0009528, -0.00023595, -0.0001418 ] ]
0.604782
3.94503
pbe
true
0cc284e2b19dae77974a2f0b0f1fba25_160_Ba2Ta1Au1
[ "Au", "Be", "Ir" ]
4
A2BC
AuBeIr2
Be1 Ir2 Au1
3
[ 1, 1, 1 ]
3
[ [ 4.34543716, 0, 0 ], [ 2.17271858, 3.76325897, 0 ], [ 2.17271858, 1.25441966, 3.54803459 ] ]
agm004046392
[ [ 6.518155740000001, 3.7632589725, 2.6610259425 ], [ 0, 0, 0 ], [ 2.17271858, 1.2544196575, 0.8870086475 ], [ 4.34543716, 2.508839315, 1.774017295 ] ]
[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Be", "Ir", "Ir", "Au" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 0.00481623, 0, 0 ], [ 0, 0.00481623, 0 ], [ 0, 0, 0.00481623 ] ]
-23.29502
[ 0, 0.003, 0.002, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.004829
4.363609
pbe
true
3c97d9174c4b82952e1805f85272cdf2_216_Be1Ir2Au1
[ "Au", "Be", "Nb" ]
3
ABC
AuBeNb
Be1 Nb1 Au1
3
[ 1, 1, 1 ]
3
[ [ 0, 2.88191689, 2.88191689 ], [ 2.88191689, 0, 2.88191689 ], [ 2.88191689, 2.88191689, 0 ] ]
agm003045554
[ [ 0, 0, 0 ], [ 1.440958445, 1.440958445, 1.440958445 ], [ 4.322875335, 4.322875335, 4.322875335 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Be", "Nb", "Au" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 0.81319076, 0, 0 ], [ 0, 0.81319076, 0 ], [ 0, 0, 0.81319076 ] ]
-16.49091
[ 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
2.003663
pbe
true
193f38e7840a7b621097d4d8d005ca43_216_Be1Nb1Au1
[ "Au", "Ca", "Cr" ]
4
A2BC
AuCaCr2
Ca1 Cr2 Au1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.38839474, 3.38839474 ], [ 3.38839474, 0, 3.38839474 ], [ 3.38839474, 3.38839474, 0 ] ]
agm002656547
[ [ 1.69419737, 1.69419737, 1.69419737 ], [ 5.08259211, 5.08259211, 5.08259211 ], [ 0, 0, 0 ], [ 3.38839474, 3.38839474, 3.38839474 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Cr", "Cr", "Ca", "Au" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 2.5050893, 0, 0 ], [ 0, 2.5050893, 0 ], [ 0, 0, 2.5050893 ] ]
-22.784091
[ 3.671, 3.671, 0.11, 0.095 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
8.44967
3.517729
pbe
true
87b12bdfa4ad8d70cb5a8175525fb73b_225_Ca1Cr2Au1
[ "Au", "Ca", "Cr" ]
4
A2BC
Au2CaCr
Ca1 Cr1 Au2
3
[ 1, 1, 1 ]
3
[ [ 8.75764705, -0.3741945, -0.2199206 ], [ 8.17869292, 3.15363053, -0.2199206 ], [ 8.17869292, 1.34221171, 2.86220515 ] ]
agm003941586
[ [ 18.469197114034692, 3.0309944198793213, 1.7813680543613923 ], [ 12.734658297280404, 2.089894758272723, 1.228267440859419 ], [ 0.0443739935610387, 0.0072822508764642, 0.0042799052977785 ], [ 6.42432043242452, 1.0543002634044467, 0.619630572928689 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Cr", "Ca", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 4.067347, -0.04396113, -0.02583672 ], [ -0.04396113, 4.328007, -0.00424008 ], [ -0.02583672, -0.00424008, 4.3327293 ] ]
-17.201278
[ 3.699, 0.002, 0.07, -0.018 ]
[ [ 0.00020093, 0.00003297, 0.00001938 ], [ 0.00828786, 0.00136013, 0.00079937 ], [ -0.00411479, -0.00067528, -0.00039687 ], [ -0.004374, -0.00071782, -0.00042188 ] ]
4.251735
3.220874
pbe
true
815f3a55eb7c6ae5ad38ad51225aee35_160_Ca1Cr1Au2
[ "Au", "Ca", "Li" ]
12
ABC
AuCaLi
Li4 Ca4 Au4
3
[ 1, 1, 1 ]
3
[ [ 4.28000846, 0, 0 ], [ 0, 8.18288208, -1e-8 ], [ 0, 1e-8, 8.18288208 ] ]
agm005597073
[ [ 2.14000423, 7.388899733630856, 1.229207088264628 ], [ 2.14000423, 0.7939823563691447, 6.9536749817353725 ], [ 0, 1.229207098264628, 0.7939823463691448 ], [ 0, 6.953674991735372, 7.388899723630856 ], [ 2.14000423, 6.442487726411049, 4.717633055632502 ], [ 0, 3.465249024367498, 6.4424877164110494 ], [ 0, 4.717633065632502, 1.7403943535889506 ], [ 2.14000423, 1.7403943635889505, 3.465249014367498 ], [ 2.14000423, 2.7672567040220524, 0.5729401965830307 ], [ 0, 7.60994188341697, 2.7672566940220524 ], [ 0, 0.5729402065830307, 5.415625375977948 ], [ 2.14000423, 5.415625385977948, 7.60994187341697 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Li", "Li", "Li", "Li", "Ca", "Ca", "Ca", "Ca", "Au", "Au", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 2.4029183, 0, 0 ], [ 0, 2.154356, 1e-8 ], [ 0, -1e-8, 2.154356 ] ]
-35.469129
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.0026704, 0.00194677 ], [ 0, 0.0026704, -0.00194677 ], [ 0, 0.00194677, 0.0026704 ], [ 0, -0.00194677, -0.0026704 ], [ 0, 0.00089738, 0.00282346 ], [ 0, -0.00282346, 0.00089738 ], [ 0, 0.00282346, -0.00089738 ], [ 0, -0.00089738, -0.00282346 ], [ 0, -0.00206121, 0.00136532 ], [ 0, -0.00136532, -0.00206121 ], [ 0, 0.00136532, 0.00206121 ], [ 0, 0.00206121, -0.00136532 ] ]
0
5.611774
pbe
true
76627cd3024bbaf9b29ecb8410fa0139_84_Li4Ca4Au4
[ "Au", "Ca", "Li" ]
3
ABC
AuCaLi
Li1 Ca1 Au1
3
[ 1, 1, 1 ]
3
[ [ 4.82149702, 0, 0 ], [ 2.41074851, 4.1755389, 0 ], [ 2.41074851, 1.3918463, 3.93673583 ] ]
agm003944976
[ [ 7.23224553, 4.1755389, 2.9525518725 ], [ 0, 0, 0 ], [ 4.82149702, 2.7836926, 1.968367915 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Au", "Ca", "Li" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 1.9559796, 0, 0 ], [ 0, 1.9559796, 0 ], [ 0, 0, 1.9559796 ] ]
-8.609507
[ 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000001
1.182885
pbe
true
5c6dc4ebbbda096f1a5ff79fea688902_216_Li1Ca1Au1
[ "Au", "Ca", "Pt" ]
5
A3BC
Au3CaPt
Ca1 Pt1 Au3
3
[ 1, 1, 1 ]
3
[ [ 5.16498358, 0, 0 ], [ 0, 5.16498358, 0 ], [ 0, 0, 5.16498358 ] ]
agm002441722
[ [ 0, 0, 0 ], [ 0, 2.58249179, 0 ], [ 0, 0, 2.58249179 ], [ 2.58249179, 0, 0 ], [ 2.58249179, 2.58249179, 2.58249179 ] ]
[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Ca", "Au", "Au", "Au", "Pt" ]
2023-11-16 06:57:59
[ 0.6, 0.2, 0.2 ]
[ [ 3.9030259, 0, 0 ], [ 0, 3.9030259, 0 ], [ 0, 0, 3.9030259 ] ]
-12.30744
[ 0, 0.001, 0, -0.001, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000099
14.638014
pbe
true
012cfed21390f11203ed9e749d5e88cd_221_Ca1Pt1Au3
[ "Au", "Cd", "Tm" ]
18
A6B2C
AuCd2Tm6
Tm12 Cd4 Au2
3
[ 1, 1, 1 ]
3
[ [ 6.07529502, 0, 0.60997132 ], [ 0, 9.01961443, 0 ], [ 0.155755, 0, 9.06236285 ] ]
agm003488418
[ [ 5.456994130099401, 8.737496945543286, 2.3552935283709875 ], [ 5.5883082502164045, 6.105497960696507, 5.5043715108438915 ], [ 5.701433375145595, 6.111304698270396, 9.11184274605131 ], [ 3.645141654854406, 1.601497483270396, 5.396658508948688 ], [ 3.7582667797835962, 1.5956907456965064, 9.004129744156108 ], [ 3.7338258999005998, 4.227689730543285, 3.090844876629012 ], [ 0.7740558899005993, 0.28211748445671464, 7.317040641629012 ], [ 0.6427417697835961, 2.914116469303494, 4.1679626591561085 ], [ 0.5296166448544056, 2.908309731729604, 0.5604914239486881 ], [ 2.5859083651455945, 7.418116946729605, 4.275675661051312 ], [ 2.4727832402164043, 7.423923684303494, 0.6682044258438915 ], [ 2.4972241200994008, 4.7919246994567155, 6.581489293370988 ], [ 5.52263133164799, 3.4788665483970207, 7.406908107185302 ], [ 3.8239436983520116, 7.988673763397021, 7.101593147814698 ], [ 2.407106321647989, 1.03094066660298, 2.5707410221853024 ], [ 0.7084186883520113, 5.5407478816029805, 2.2654260628146976 ], [ 3.03764751, 4.509807215, 0.30498566 ], [ 0.0778775, 0, 4.531181425 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Cd", "Cd", "Cd", "Cd", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.2222222222222222, 0.6666666666666666 ]
[ [ 1.8110052, 0, -0.02141588 ], [ 0, 1.7908474, 0 ], [ -0.02141587, 0, 1.8091844 ] ]
-67.55797
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.002657, 0.00168777, -0.00208391 ], [ -0.0022621, -0.00082802, -0.00037075 ], [ -0.00122822, 0.00054186, 0.00408787 ], [ 0.00122822, 0.00054186, -0.00408787 ], [ 0.0022621, -0.00082802, 0.00037075 ], [ 0.002657, 0.00168777, 0.00208391 ], [ 0.002657, -0.00168777, 0.00208391 ], [ 0.0022621, 0.00082802, 0.00037075 ], [ 0.00122822, -0.00054186, -0.00408787 ], [ -0.00122822, -0.00054186, 0.00408787 ], [ -0.0022621, 0.00082802, -0.00037075 ], [ -0.002657, -0.00168777, -0.00208391 ], [ 0.00176789, -0.00190063, -0.00188453 ], [ -0.00176789, -0.00190063, 0.00188453 ], [ 0.00176789, 0.00190063, -0.00188453 ], [ -0.00176789, 0.00190063, 0.00188453 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.006246
22.647821
pbe
true
ccffa1c50e02fdbb653b76f0ba92f619_14_Tm12Cd4Au2
[ "Au", "Cl", "S" ]
16
A3B3C2
Au3Cl3S2
Au6 S4 Cl6
3
[ 1, 1, 1 ]
3
[ [ 9.65801434, -2e-8, 0 ], [ 7e-8, 8.06029957, 0 ], [ 0, 0, 20.01122395 ] ]
agm2000093625
[ [ 1.4615153925627316, 5.817002692549628, 8.785852833157689 ], [ 8.196495571588079, 5.8170001799098365, 8.785851032147534 ], [ 6.290525038646464, 1.7868534617705927, 8.78585203270873 ], [ 3.3674921332137107, 1.7868549992805833, 8.785855034392323 ], [ 0.0000056083891534, 0.7761879874899945, 10.252844643535067 ], [ 4.82900325195495, 4.8063371176660485, 10.252843642973868 ], [ 2.532643546827467, 4.589304045345651, 10.371962254546398 ], [ 7.125366719938329, 4.5893002474941555, 10.371956851515932 ], [ 7.3616543518728825, 0.5591504620048461, 10.371952248934424 ], [ 2.296365406327112, 0.5591545026439279, 10.37196205443416 ], [ 2.7502680400940553, 1.5082720251125574, 12.162552365623396 ], [ 6.907746422683322, 1.5082644398215763, 12.16254976416428 ], [ 7.579272057949288, 5.538417689359783, 12.162548163266365 ], [ 2.0787410261259804, 5.538423181754095, 12.162549363939801 ], [ 9.658011984264816, 6.767013118971112, 7.151330858003462 ], [ 4.829008545890414, 2.736863908192073, 7.151328456656587 ] ]
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Au", "Au", "Au", "Au", "Au", "Au", "S", "S", "S", "S", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.375, 0.375, 0.25 ]
[ [ 0.4632862, 0, 0 ], [ 0, 0.42052957, -0.0230382 ], [ 0, -0.02303821, -0.1667166 ] ]
-48.346013
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00307926, 0.00009727, -0.0046383 ], [ 0.00307926, 0.00009727, -0.0046383 ], [ -0.00307926, 0.00009727, -0.0046383 ], [ 0.00307926, 0.00009727, -0.0046383 ], [ 0, -0.00169344, 0.00440546 ], [ 0, -0.00169344, 0.00440546 ], [ -0.00436316, 0.00114176, 0.0013703 ], [ 0.00436316, 0.00114176, 0.0013703 ], [ -0.00436316, 0.00114176, 0.0013703 ], [ 0.00436316, 0.00114176, 0.0013703 ], [ -0.00313358, -0.00115268, 0.00084626 ], [ 0.00313358, -0.00115268, 0.00084626 ], [ -0.00313358, -0.00115268, 0.00084626 ], [ 0.00313358, -0.00115268, 0.00084626 ], [ 0, 0.00152074, 0.00043803 ], [ 0, 0.00152074, 0.00043803 ] ]
0
0
pbe
true
e72737660a1ff2ceb117c9f1c8f374c8_8_Au6S4Cl6
[ "Au", "Co", "Os" ]
8
A2BC
AuCoOs2
Co2 Os4 Au2
3
[ 1, 1, 1 ]
3
[ [ 7.09743102, 0, 0 ], [ 0, 7.09743102, 0 ], [ 3.54871551, 3.54871551, 2.48064598 ] ]
agm002818632
[ [ 4.913203295180159, 1.774357755, 0.620161495 ], [ 2.1842277248198414, 5.3230732650000006, 0.620161495 ], [ 5.323073265, 5.7329432348198415, 1.8604844849999997 ], [ 8.871788775, 8.46191880518016, 1.8604844849999997 ], [ 0, 0, 0 ], [ 7.09743102, 3.54871551, 1.24032299 ], [ 3.54871551, 3.54871551, 0 ], [ 3.54871551, 7.09743102, 1.24032299 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Os", "Os", "Os", "Os", "Au", "Au", "Co", "Co" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 6.56328, 0, 0 ], [ 0, 6.56328, 0 ], [ 0, 0, 9.546749 ] ]
-58.123763
[ 0.099, 0.092, 0.109, 0.099, 0.007, 0.007, 0.199, 0.197 ]
[ [ 0.03823022, 0, 0 ], [ -0.03823022, 0, 0 ], [ 0, -0.03823022, 0 ], [ 0, 0.03823022, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.837396
12.905022
pbe
true
b8a4fba2382d2cf486e7cc66c1f64ace_122_Co2Os4Au2
[ "Au", "Cs", "La" ]
12
A10BC
Au10CsLa
Cs1 La1 Au10
3
[ 1, 1, 1 ]
3
[ [ 4.38743278, 0, 0 ], [ 0, 6.26158411, 0 ], [ 0, 0, 10.21864092 ] ]
agm005595215
[ [ 0, 0, 0 ], [ 0, 3.130792055, 5.10932046 ], [ 0, 0, 3.4020009712185937 ], [ 0, 3.130792055, 8.46013820039209 ], [ 0, 3.130792055, 1.7585027196079117 ], [ 0, 0, 6.816639948781407 ], [ 2.19371639, 0, 5.10932046 ], [ 2.19371639, 3.130792055, 0 ], [ 2.19371639, 1.7254096823459102, 2.8948376621762986 ], [ 2.19371639, 4.53617442765409, 7.323803257823701 ], [ 2.19371639, 4.53617442765409, 2.8948376621762986 ], [ 2.19371639, 1.7254096823459102, 7.323803257823701 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "La", "Au", "Au", "Au", "Au", "Au", "Au", "Au", "Au", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.8333333333333334, 0.08333333333333333, 0.08333333333333333 ]
[ [ 11.111851, 0, 0 ], [ 0, 1.3342121, 0 ], [ 0, 0, 1.388173 ] ]
-41.989994
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.0063034 ], [ 0, 0, 0.00679022 ], [ 0, 0, -0.00679022 ], [ 0, 0, 0.0063034 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.0142052, 0.02725652 ], [ 0, -0.0142052, -0.02725652 ], [ 0, -0.0142052, 0.02725652 ], [ 0, 0.0142052, -0.02725652 ] ]
0
7.03804
pbe
true
f2e69489117d4e57e04c7756e2ba7be8_47_Cs1La1Au10
[ "Au", "Cs", "Tl" ]
9
A4B4C
AuCs4Tl4
Cs4 Tl4 Au1
3
[ 1, 1, 1 ]
3
[ [ 6.73816923, -0.00000338, 0.00000528 ], [ -3.369083, 10.04174566, 3.3690859 ], [ -0.00000528, -0.00000344, 6.73816951 ] ]
agm006030194
[ [ -1.8098337036922738, 6.988694198808737, 4.928337847644006 ], [ 1.809829100038787, 6.988690635602057, 8.548006407114432 ], [ 1.5592490809887876, 3.053046356470226, 5.178919972310964 ], [ 5.178917456355583, 3.0530463887015573, 1.5592570518580442 ], [ 1.9445455865883956, 0.9779355276991919, 1.944548669097324 ], [ 4.793619225867315, 0.9779323427707047, 4.793626959196235 ], [ -1.4245405083908453, 9.063804841871532, 8.162709754688448 ], [ 1.4245375959351336, 9.063804967658573, 5.313635997017992 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "Cs", "Cs", "Tl", "Tl", "Tl", "Tl", "Au" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.4444444444444444, 0.4444444444444444 ]
[ [ 1.6070881, -1.3e-7, 0 ], [ -1.3e-7, 1.6056789, -2.2e-7 ], [ 0, -2.2e-7, 1.6070882 ] ]
-16.788999
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00158966, 0.0020431, 0.00158966 ], [ -0.00158965, 0.0020431, -0.00158966 ], [ 0.00158966, -0.0020431, -0.00158966 ], [ -0.00158966, -0.0020431, 0.00158965 ], [ -0.00513248, -0.00520512, -0.00513249 ], [ 0.00513248, -0.00520513, 0.00513249 ], [ -0.00513248, 0.00520513, 0.00513248 ], [ 0.00513249, 0.00520513, -0.00513248 ], [ 0, 0, 0 ] ]
0
7.132965
pbe
true
3569f54a290e1c5b0d141773043df5e1_121_Cs4Tl4Au1
[ "Au", "Cu", "Ir" ]
5
A3BC
AuCuIr3
Cu1 Ir3 Au1
3
[ 1, 1, 1 ]
3
[ [ 4.87464694, 0, 0 ], [ 0, 4.87464694, 0 ], [ 0, 0, 4.87464694 ] ]
agm002463776
[ [ 0, 2.43732347, 0 ], [ 0, 0, 2.43732347 ], [ 2.43732347, 0, 0 ], [ 0, 0, 0 ], [ 2.43732347, 2.43732347, 2.43732347 ] ]
[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Ir", "Ir", "Ir", "Au", "Cu" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ -2.2811997, 0, 0 ], [ 0, -2.2811997, 0 ], [ 0, 0, -2.2811997 ] ]
-21.400848
[ 0.855, 1.447, 0.555, 0.217, 0.038 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.135078
9.848259
pbe
true
a0633e4e80eeae42be55e4f9768656b7_221_Cu1Ir3Au1
[ "Au", "Cu", "Pd" ]
13
A8B3C2
Au2Cu3Pd8
Cu3 Pd8 Au2
3
[ 1, 1, 1 ]
3
[ [ 2.74887394, -7.5e-7, 0.0000216 ], [ 0.00003267, 7.51169889, -5.10056905 ], [ -0.00002215, -0.06116132, 10.19589382 ] ]
agm005617987
[ [ 1.37443697, -3.75e-7, 0.0000108 ], [ 2.7488600665763285, 1.576804325002207, 8.548842863547776 ], [ 0.000024393423671799996, 5.8737324949977925, -3.4534964935477763 ], [ 0.0000206300623202, 4.3258073760622, -1.318306796913931 ], [ 2.74886382993768, 3.1247294439377997, 6.4136531669139325 ], [ 2.7488613528412063, 0.9530227388474776, 2.014720050186574 ], [ 0.000023107158794199995, 6.497514081152522, 3.0806263198134274 ], [ 1.3744489404348297, 4.838999002369867, 4.713561235107534 ], [ 1.3744330831847194, 0.6263163540096001, 6.417684850613643 ], [ 1.374451376793131, 6.82422040482908, -1.3223282847198226 ], [ 1.3744355195651705, 2.611537817630133, 0.3817851348924662 ], [ 1.374415189357901, 2.1654009167417123, 4.090259462876749 ], [ 1.3744692706420993, 5.285135903258287, 1.0050869071232513 ] ]
[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Cu", "Cu", "Cu", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.15384615384615385, 0.23076923076923078, 0.6153846153846154 ]
[ [ -3.38332, -0.00000674, -0.0000201 ], [ -0.00000674, -2.6546967, 0.0043503 ], [ -0.0000201, 0.0043648, -3.002566 ] ]
-59.790609
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 4e-8, 0.000901, -0.01764745 ], [ -4e-8, -0.000901, 0.01764745 ], [ 0, 0.00027495, 0.00027676 ], [ 0, -0.00027495, -0.00027676 ], [ 1e-8, 0.00339684, -0.00112942 ], [ -1e-8, -0.00339684, 0.00112942 ], [ -1e-8, -0.00360687, 0.00028844 ], [ -1e-8, -0.00166555, 0.00466419 ], [ 1e-8, 0.00166555, -0.00466419 ], [ 1e-8, 0.00360687, -0.00028844 ], [ 0, 0.00081139, 0.00330048 ], [ 0, -0.00081139, -0.00330048 ] ]
0
15.915332
pbe
true
a2889fbfb75da443ea6a76ebbf4fb790_10_Cu3Pd8Au2
[ "Au", "Er", "In" ]
4
A2BC
AuEr2In
Er2 In1 Au1
3
[ 1, 1, 1 ]
3
[ [ 3.80226361, 0, 0 ], [ 1.90113181, 3.29285688, 0 ], [ 1.90113181, 1.09761896, 8.64023814 ] ]
agm001957497
[ [ 3.8022636149999998, 2.19523792, 4.32011907 ], [ 0, 0, 0 ], [ 1.9011337085403537, 1.0976200576189599, 1.9230076894385877 ], [ 5.703393521459646, 3.29285578238104, 6.717230450561411 ] ]
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "In", "Au", "Er", "Er" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 2.4918013, 0, 0 ], [ 0, 2.4918013, 0 ], [ 0, 0, 2.4126678 ] ]
-17.134247
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00078865 ], [ 0, 0, -0.00078865 ] ]
-0.000001
3.977001
pbe
true
b1c830513b543208e4b2edc71561b248_166_Er2In1Au1
[ "Au", "Er", "Li" ]
6
A4BC
AuErLi4
Li4 Er1 Au1
3
[ 1, 1, 1 ]
3
[ [ 5.25640244, 0, 0 ], [ 2.62820122, 4.55217804, 0 ], [ 2.62820122, 1.51739268, 4.29183462 ] ]
agm001178008
[ [ 5.25640506820122, 3.03478384260732, 0.49622453678351824 ], [ 5.25640506820122, 1.4794395935921327, 2.6958134704606205 ], [ 6.603372701121954, 3.8124559671149134, 2.6958134704606205 ], [ 3.909437435280485, 3.8124559671149134, 2.6958134704606205 ], [ 0, 0, 0 ], [ 2.62820122, 1.51739268, 1.072958655 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Li", "Li", "Li", "Li", "Au", "Er" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.16666666666666666, 0.6666666666666666 ]
[ [ 1.4818813, 0, 0 ], [ 0, 1.4818813, 0 ], [ 0, 0, 1.4818813 ] ]
-16.346861
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.00026486 ], [ 0, -0.00024971, 0.00008829 ], [ 0.00021626, 0.00012486, 0.00008829 ], [ -0.00021626, 0.00012486, 0.00008829 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000644
6.611897
pbe
true
ff2a083839ab24d4c48acd1970fbdc04_216_Li4Er1Au1
[ "Au", "Er", "Tl" ]
4
A2BC
AuEr2Tl
Er2 Tl1 Au1
3
[ 1, 1, 1 ]
3
[ [ 3.91371917, 0.0076365, -0.00115131 ], [ 1.96347299, 3.38556197, -0.00115131 ], [ 1.95660651, 1.1296473, 8.39900916 ] ]
agm005119085
[ [ 1.9567810165234396, 1.1297480499468766, 6.574708754022563 ], [ 1.9626907808045746, 1.1331600501803336, 1.8160877474302795 ], [ 3.90906556874699, 2.2569000579559213, 4.202568154734588 ], [ 3.9221586823184866, 2.2644593672695685, 0.0016867548034097998 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Er", "Er", "Tl", "Au" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 2.3458483, 0.04251372, 0.01009237 ], [ 0.04251372, 2.2967577, 0.00582683 ], [ 0.01009242, 0.00582686, 2.3130019 ] ]
-16.558241
[ 0, 0, 0, 0 ]
[ [ 0.00000725, 0.00000418, 0.00233263 ], [ 0.00205673, 0.00118745, -0.00281393 ], [ -0.00282505, -0.00163104, 0.00235611 ], [ 0.00076107, 0.00043941, -0.0018748 ] ]
0.000004
3.54863
pbe
true
6966a2d54845d7c2813f168f8e975c94_8_Er2Tl1Au1
[ "Au", "Er", "Sn" ]
4
A2BC
AuEr2Sn
Er2 Sn1 Au1
3
[ 1, 1, 1 ]
3
[ [ 5.17533222, -0.00016999, -0.00007451 ], [ 2.58751869, 4.48217252, 0.00032243 ], [ -2.58767722, -1.49382709, 4.22633478 ] ]
agm002320651
[ [ -0.0005352817484893297, -0.0002212518437213037, 3.169942879385548 ], [ 5.175442706014479, 2.9882356386801816, 1.056653040209835 ], [ 2.5877413764571826, 1.4942915302101247, 2.113099104402772 ], [ 0.0001220849634866, -0.000039769562395999994, 0.00017057325777540002 ] ]
[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Au", "Sn", "Er", "Er" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 1.5140415, -0.17339513, -0.26287457 ], [ -0.17339507, 1.1256753, 0.19490516 ], [ -0.26287523, 0.19490565, 1.200051 ] ]
-19.214761
[ 0.022, -0.008, 0.134, 0.134 ]
[ [ 0.00028264, 0.00011243, -0.00004045 ], [ -0.00089377, -0.00092521, 0.00078852 ], [ -0.00021381, 0.00068773, 0.00012305 ], [ 0.00082494, 0.00012505, -0.00087113 ] ]
0.374024
4.946107
pbe
true
7d3af5ee95658c3fa1ab9ea3ceff63bd_225_Er2Sn1Au1
[ "Au", "Eu", "Sn" ]
6
A4BC
Au4EuSn
Eu1 Sn1 Au4
3
[ 1, 1, 1 ]
3
[ [ 5.69445799, 0, 0 ], [ 2.84722899, 4.93154528, 0 ], [ 2.84722899, 1.64384843, 4.64950548 ] ]
agm001185177
[ [ 2.8472289925, 1.6438484275, 1.16237637 ], [ 5.694460805006929, 3.2876951934628664, 0.5808774585487716 ], [ 5.69446080500693, 1.6435549196134918, 2.9060429351502313 ], [ 7.118328048524371, 4.1097653328879975, 2.9060429351502313 ], [ 4.270593556488599, 4.1097653328879975, 2.9060429351502313 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]
[ "Eu", "Au", "Au", "Au", "Au", "Sn" ]
2023-11-16 06:57:59
[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]
[ [ 6.7815685, 0, 0 ], [ 0, 6.7815685, 0 ], [ 0, 0, 6.7815685 ] ]
-29.963564
[ 6.787, 0.002, 0.002, 0.002, 0.002, 0.014 ]
[ [ 0, 0, 0 ], [ 0, 0, -0.00213543 ], [ 0, -0.0020133, 0.00071181 ], [ 0.00174357, 0.00100665, 0.00071181 ], [ -0.00174357, 0.00100665, 0.00071181 ], [ 0, 0, 0 ] ]
7.011714
14.609197
pbe
true
0bff0cdfccd73d9d3ba3e882f4f6da13_216_Eu1Sn1Au4
[ "Au", "F", "N" ]
8
A2BC
Au2FN
Au4 N2 F2
3
[ 1, 1, 1 ]
3
[ [ 4.87832989, 0, 0 ], [ 0, 4.87832989, 0 ], [ 2.43916494, 2.43916494, 6.03903182 ] ]
agm002858396
[ [ 2.439164945, 2.439164945, 0 ], [ 2.4391649424999997, 4.8783298875, 3.01951591 ], [ 3.0638824059644327, 1.2195824712499999, 1.509757955 ], [ 1.814447481535567, 3.6587474162499998, 1.509757955 ], [ 3.65874741375, 4.253612424035567, 4.529273865 ], [ 6.0979123587499995, 5.503047348464433, 4.529273865 ], [ 0, 0, 0 ], [ 4.8783298875, 2.4391649424999997, 3.01951591 ] ]
[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "N", "N", "Au", "Au", "Au", "Au", "F", "F" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 0.7510216, 0, 0 ], [ 0, 0.7510216, 0 ], [ 0, 0, 0.9142849 ] ]
-29.731452
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01262514, 0, 0 ], [ 0.01262514, 0, 0 ], [ 0, 0.01262514, 0 ], [ 0, -0.01262514, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
1.670467
pbe
true
80be94df3d3057885c2caea0ae31d384_122_Au4N2F2
[ "Au", "Fe", "Pd" ]
20
A6B3C
Au3FePd6
Fe2 Pd12 Au6
3
[ 1, 1, 1 ]
3
[ [ 4.64889101, 0, 0 ], [ 0, 6.9767218, -2.70910158 ], [ 0, -0.2215876, 9.95838038 ] ]
agm006011249
[ [ 1.1622227525, 6.560059412691889, 3.1786447063944263 ], [ 3.4866682575, 0.19507478730811, 4.070634093605574 ], [ 1.1622227525, 3.2082142363148143, -0.5269583492229253 ], [ 3.4866682575, 3.546919963685186, 7.776237149222924 ], [ 1.1622227525, 1.0860997705450501, 1.2994723416816947 ], [ 3.4866682575, 5.66903442945495, 5.949806458318304 ], [ 1.1622227525, 4.556787702699834, 4.852206033115839 ], [ 3.4866682575, 2.198346497300166, 2.3970727668841607 ], [ 1.1622227525, 1.5975255678525582, 4.0805756625235965 ], [ 3.4866682575, 5.157608632147442, 3.168703137476402 ], [ 1.1622227525, 6.007162121629018, 0.5381974666793462 ], [ 3.4866682575, 0.7479720783709819, 6.711081333320654 ], [ 1.1622227525, 0.23880891799235404, 8.427601183381874 ], [ 3.4866682575, 6.516325282007646, -1.178322383381875 ], [ 1.1622227525, 3.7869630538358603, 2.2268175818275036 ], [ 3.4866682575, 2.96817114616414, 5.022461218172496 ], [ 1.1622227525, 2.374900573109002, 6.7105011828655465 ], [ 3.4866682575, 4.380233626890998, 0.5387776171344533 ], [ 1.1622227525, 5.166732564072752, 7.639751129660045 ], [ 3.4866682575, 1.588401635927248, -0.3904723296600452 ] ]
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Fe", "Fe", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Au", "Au", "Au", "Au", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.3, 0.1, 0.6 ]
[ [ 7.3368473, 0, 0 ], [ 0, 7.225165, -0.03262174 ], [ 0, -0.03262153, 7.385561 ] ]
-99.977107
[ 3.334, 3.334, 0.086, 0.086, 0.113, 0.113, 0.171, 0.171, 0.266, 0.266, 0.259, 0.259, 0.184, 0.184, 0.022, 0.022, 0.026, 0.026, 0.009, 0.009 ]
[ [ 0, 0.0038734, -0.00054738 ], [ 0, -0.0038734, 0.00054738 ], [ 0, -0.00027449, -0.0029441 ], [ 0, 0.00027449, 0.0029441 ], [ 0, 0.00093494, -0.00250845 ], [ 0, -0.00093494, 0.00250845 ], [ 0, -0.00077449, -0.00125199 ], [ 0, 0.00077449, 0.00125199 ], [ 0, 0.00213734, -0.00287777 ], [ 0, -0.00213734, 0.00287777 ], [ 0, 0.00186839, -0.00520774 ], [ 0, -0.00186839, 0.00520774 ], [ 0, 0.00062486, 0.00209045 ], [ 0, -0.00062486, -0.00209045 ], [ 0, -0.00457222, -0.00053657 ], [ 0, 0.00457222, 0.00053657 ], [ 0, 0.00102026, -0.00043453 ], [ 0, -0.00102026, 0.00043453 ], [ 0, 0.00268812, 0.00201004 ], [ 0, -0.00268812, -0.00201004 ] ]
8.901519
12.465304
pbe
true
4318a3103dd50d78c60de93295da43ea_11_Fe2Pd12Au6
[ "Au", "Ga", "In" ]
11
A7B2C2
Au7Ga2In2
In2 Ga2 Au7
3
[ 1, 1, 1 ]
3
[ [ 5.10871204, 0.9158689, 1.04700717 ], [ 0.44461825, 6.65627729, 0.88486569 ], [ 0.44461825, -0.0084479, 6.71483011 ] ]
agm003318877
[ [ 5.553330290000001, 2.106996222805353, 6.712509562997947 ], [ 0.44461825, 5.456702067194647, 1.934193407002054 ], [ 2.568078959314188, 2.608644625279546, 2.9821622128039533 ], [ 3.4298695806858124, 4.955053664720454, 5.664540757196047 ], [ 3.923746137386525, 0.7986025494776441, 4.5998369648085 ], [ 2.0742024026134755, 3.1109752756280855, 7.243305721669511 ], [ 2.0742024026134755, 6.765095740522356, 4.0468660051915 ], [ 3.923746137386525, 4.452723014371914, 1.403397248330489 ], [ 2.55435602, 0.45793445, 0.523503585 ], [ 1.1361774868223673, 4.125811985769684, 4.7165644875648285 ], [ 4.861771053177633, 3.437886304230316, 3.9301384824351713 ] ]
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "In", "In", "Ga", "Ga", "Au", "Au", "Au", "Au", "Au", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.6363636363636364, 0.18181818181818182, 0.18181818181818182 ]
[ [ 5.136964, 0.05157624, 0.05896116 ], [ 0.0515763, 4.9965506, -0.05142382 ], [ 0.05896123, -0.05142382, 4.9827466 ] ]
-35.99958
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00037234, 0.0003257 ], [ 0, 0.00037234, -0.0003257 ], [ 0.00590861, 0.00261391, 0.00298818 ], [ -0.00590861, -0.00261391, -0.00298818 ], [ 0.00093756, 0.00024523, -0.00057648 ], [ -0.00093756, 0.00060398, -0.00016636 ], [ -0.00093756, -0.00024523, 0.00057648 ], [ 0.00093756, -0.00060398, 0.00016636 ], [ 0, 0, 0 ], [ -0.00115446, -0.00017296, -0.00019773 ], [ 0.00115446, 0.00017296, 0.00019773 ] ]
0
2.951113
pbe
true
1d73a1070b702ed07ffcb6efa9531a16_12_In2Ga2Au7
[ "Au", "Ga", "Sm" ]
8
A5B2C
Au5GaSm2
Sm2 Ga1 Au5
3
[ 1, 1, 1 ]
3
[ [ 6.44814195, 0.02265578, 0.00006111 ], [ 0.02280246, 6.4481618, 0.00000546 ], [ -3.2350853, -3.23506005, 4.26169518 ] ]
agm003470923
[ [ 0.016135274644833816, 3.219852780857024, 2.0214100466634832 ], [ 3.2196724016328346, 0.01594343269505186, 2.0214062129226047 ], [ -0.0010322635269741506, -0.0010821212656332195, 0.8272001624941254 ], [ 1.423742308459479, -1.4255430885697224, 4.140309443859712 ], [ -1.4588888060797556, -1.4588699541035555, 4.145194344563108 ], [ 1.458463428062755, 1.4583722201696392, 4.152320816617271 ], [ -1.4255034184280262, 1.423722011254044, 4.139982737742416 ], [ 3.240517309363495, 3.240365728839556, 2.221908227628799 ] ]
[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Sm", "Sm", "Ga", "Au", "Au", "Au", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.625, 0.125, 0.25 ]
[ [ 3.4851568, 0.03535876, -0.00579957 ], [ 0.03535891, 3.487558, 0.00038021 ], [ -0.00579966, 0.00038026, 3.2941985 ] ]
-33.131186
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00127781, -0.00172931, 0.00163522 ], [ -0.00170033, 0.00097299, 0.00157838 ], [ -0.00247653, -0.00222593, -0.00175546 ], [ -0.00137925, 0.00221278, -0.00164035 ], [ 0.00005379, 0.00016981, -0.00192067 ], [ 0.00114429, 0.00145042, 0.00410407 ], [ 0.00255022, -0.0015314, -0.00139557 ], [ 0.00053001, 0.00068064, -0.0006056 ] ]
0
3.881521
pbe
true
8443ddf72f9f12d6ed0c0cc52fa94155_8_Sm2Ga1Au5
[ "Au", "Ge", "Hf" ]
5
A3BC
AuGeHf3
Hf3 Ge1 Au1
3
[ 1, 1, 1 ]
3
[ [ 4.90185315, 0, 0 ], [ 0, 4.90185315, 0 ], [ 0, 0, 4.90185315 ] ]
agm002484429
[ [ 0, 2.450926575, 0 ], [ 0, 0, 2.450926575 ], [ 2.450926575, 0, 0 ], [ 0, 0, 0 ], [ 2.450926575, 2.450926575, 2.450926575 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Hf", "Hf", "Hf", "Ge", "Au" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ 2.132218, 0, 0 ], [ 0, 2.132218, 0 ], [ 0, 0, 2.132218 ] ]
-36.086352
[ 0, -0.001, 0.001, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.357709
pbe
true
8812f4cff28c00c00b353669572a59e9_221_Hf3Ge1Au1
[ "Au", "Ge", "Lu" ]
6
ABC
AuGeLu
Lu2 Ge2 Au2
3
[ 1, 1, 1 ]
3
[ [ 4.44044477, 0, 0 ], [ -2.22022185, 3.84553829, 0 ], [ 0, 0, 7.14901507 ] ]
agm003201308
[ [ 0, 0, 3.548167203445037 ], [ 0, 0, 7.122674738445037 ], [ 2.22022478355554, 1.2818448148205699, 5.647158062481429 ], [ -0.0000018635555401511896, 2.56369347517943, 2.072650527481429 ], [ -0.0000018635555401511896, 2.56369347517943, 4.979019764347464 ], [ 2.22022478355554, 1.2818448148205699, 1.404512229347464 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
[ "Lu", "Lu", "Ge", "Ge", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 3.0123048, 4.2e-7, 0 ], [ 4.2e-7, 3.0123053, 0 ], [ 0, 0, 2.9233825 ] ]
-29.505194
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.0011553 ], [ 0, 0, -0.0011553 ], [ 0, 0, -0.00080446 ], [ 0, 0, -0.00080446 ], [ 0, 0, 0.00195976 ], [ 0, 0, 0.00195976 ] ]
0.000008
0.542263
pbe
true
25c440e899f4a72f88745901fc15b717_186_Lu2Ge2Au2
[ "Au", "Ge", "Sb" ]
5
A2B2C
AuGe2Sb2
Ge2 Sb2 Au1
3
[ 1, 1, 1 ]
3
[ [ 5.53046765, 0, 0 ], [ 0, 5.53046765, 0 ], [ 2.76523382, 2.76523382, 3.96027726 ] ]
agm002923114
[ [ 5.530467647500001, 2.7652338225, 1.98013863 ], [ 2.7652338225, 5.530467647500001, 1.98013863 ], [ 2.765233823343447, 2.765233823343447, 1.3120820727935913 ], [ 5.530467646656554, 5.530467646656554, 2.6481951872064085 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Sb", "Sb", "Ge", "Ge", "Au" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.4 ]
[ [ 0.10358315, 0, 0 ], [ 0, 0.10358315, 0 ], [ 0, 0, 5.015932 ] ]
-19.613694
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00693737 ], [ 0, 0, -0.00693737 ], [ 0, 0, 0 ] ]
0
2.124984
pbe
true
d4f6b6519a616860b416c6af7a0fb631_139_Ge2Sb2Au1
[ "Au", "H", "K" ]
20
A3BC
AuH3K
Au1 H3 K1
3
[ 1, 1, 1 ]
3
[ [ 4.586377834, -5.187129292, 0 ], [ 4.586377834, 5.187129292, 0 ], [ -3.031345734, 0, 7.063612058 ] ]
oqmd-5968687
[ [ 3.828539999999999, -3.63673, 1.7659 ], [ 3.8285400000000007, 1.28818, 1.7659 ], [ 2.31287, -1.28818, 5.29771 ], [ 2.312870000000001, 3.63673, 5.29771 ], [ 3.723489999999999, -2.46387, 0.60017 ], [ 8.30346, 0.36444999999999944, 0.6306900000000001 ], [ 2.31849, 1.28748, 1.06773 ], [ 5.33859, 1.2874799999999995, 2.4640700000000004 ], [ -0.64637, 0.3644499999999999, 2.90111 ], [ 3.93359, -2.463869999999999, 2.93164 ], [ 2.2078200000000003, 2.46387, 4.13197 ], [ 6.78778, -0.36445000000000016, 4.1625 ], [ 0.8028199999999999, -1.2874799999999993, 4.599540000000001 ], [ 3.822919999999999, -1.2874799999999995, 5.99588 ], [ -2.1620499999999994, -0.3644500000000003, 6.432920000000001 ], [ 2.4179200000000005, 2.46387, 6.46344 ], [ 6.2132499999999995, -1.2256300000000002, 1.6610400000000003 ], [ 1.4438299999999995, -1.22563, 1.8707700000000005 ], [ 4.697580000000001, 1.225629999999999, 5.19284 ], [ -0.07184000000000021, 1.225629999999999, 5.402570000000001 ] ]
[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}]
[ "Au", "Au", "Au", "Au", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "K", "K", "K", "K" ]
2024-11-01 00:00:00
[ 0.2, 0.6, 0.2 ]
[ [ 11.23454199, 0, -1.20244823 ], [ 0, 10.58080299, 0 ], [ -1.20244823, 0, 10.30720777 ] ]
-61.1356
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.001114, 0 ], [ 0, -0.006978, 0 ], [ 0, 0.006978, 0 ], [ 0, -0.001114, 0 ], [ 0.007736, -0.058666, 0.043381 ], [ 0.001572, 0.059407, 0.053736 ], [ 0.056957, 0.002925, 0.029051 ], [ -0.056957, 0.002925, -0.029051 ], [ -0.001572, 0.059407, -0.053736 ], [ -0.007736, -0.058666, -0.043381 ], [ 0.007736, 0.058666, 0.043381 ], [ 0.001572, -0.059407, 0.053736 ], [ 0.056957, -0.002925, 0.029051 ], [ -0.056957, -0.002925, -0.029051 ], [ -0.001572, -0.059407, -0.053736 ], [ -0.007736, 0.058666, -0.043381 ], [ 0.001761, -0.001963, 0.003344 ], [ -0.001761, -0.001963, -0.003344 ], [ 0.001761, 0.001963, 0.003344 ], [ -0.001761, 0.001963, -0.003344 ] ]
null
null
pbe
true
bfa37207f092ba0bc049fae373218c96_15_K4H12Au4
[ "Au", "H", "Sb" ]
5
A2B2C
AuH2Sb2
Sb2 H2 Au1
3
[ 1, 1, 1 ]
3
[ [ 3.9898048, -7.8e-7, 1.37073578 ], [ 2.1950783, 3.59281839, 0.10271266 ], [ -0.77706946, -2.09051597, 8.75375065 ] ]
agm005930627
[ [ 1.644145377930439, 1.4149817288672915, 1.7063283834207348 ], [ 3.763668262069561, 0.08731991113270884, 8.520870706579267 ], [ 2.58116328770707, 0.7677760041534643, 5.470875732378924 ], [ 2.8266503522929303, 0.7345256358465362, 4.756323357621077 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Sb", "Sb", "H", "H", "Au" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.4 ]
[ [ 4.828751, 0.04784438, 0.05324526 ], [ 0.04784436, 4.623513, -0.13926734 ], [ 0.05324526, -0.1392674, 4.6920595 ] ]
-17.906487
[ 0, 0, 0, 0, 0 ]
[ [ 0.00026713, 0.00300851, -0.00077754 ], [ -0.00026713, -0.00300851, 0.00077754 ], [ 0.01600804, -0.00042597, -0.04659461 ], [ -0.01600804, 0.00042597, 0.04659461 ], [ 0, 0, 0 ] ]
0
1.319379
pbe
true
f338b4e8ef6521b97eeef59368fb6e48_12_Sb2H2Au1
[ "Au", "Ho", "Sb" ]
6
ABC
AuHoSb
Ho2 Sb2 Au2
3
[ 1, 1, 1 ]
3
[ [ 4.54518073, 0, 0 ], [ -2.27259036, 3.93624197, 0 ], [ 0, 0, 8.65535901 ] ]
agm001044077
[ [ 2.27259263925703, 1.31207934458601, 2.3956959609626858 ], [ -0.000002269257030045035, 2.62416262541399, 6.723375465962685 ], [ 0, 0, 5.625260287808305 ], [ 0, 0, 1.2975807828083046 ], [ 2.27259263925703, 1.31207934458601, 7.991198258958709 ], [ -0.000002269257030045035, 2.62416262541399, 3.6635187539587095 ] ]
[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Au", "Au", "Sb", "Sb", "Ho", "Ho" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 1.1738364, 0, 0 ], [ 0, 1.1738364, 0 ], [ 0, 0, 1.0615354 ] ]
-28.430826
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.00293874 ], [ 0, 0, -0.00293874 ], [ 0, 0, 0.00226891 ], [ 0, 0, 0.00226891 ], [ 0, 0, 0.00066984 ], [ 0, 0, 0.00066984 ] ]
-0.000001
2.888169
pbe
true
7e2f370c91a5b3f875e8c565ca9352f6_186_Ho2Sb2Au2
[ "Au", "I", "Pd" ]
26
A9B3C
Au3I9Pd
Pd2 Au6 I18
3
[ 1, 1, 1 ]
3
[ [ 9.12238993, 0.39021362, 0 ], [ -1.99197721, 8.91079577, 0 ], [ 0, 0, 12.87308782 ] ]
agm006008986
[ [ 4.86458681777514, 6.345434611896742, 0 ], [ 2.26582590222486, 2.9555747781032573, 6.43654391 ], [ -0.4718734399995972, 5.3598690258036, 1.9034222314561355 ], [ 7.602286159999597, 3.9411403641963996, 8.339966141456136 ], [ 5.298543931615502, 0.9361070036113475, 10.969665588543865 ], [ 1.831868788384499, 8.364902386388652, 4.533121678543864 ], [ 2.409101563255452, 3.1424655403821613, 0 ], [ 4.721311156744548, 6.158543849617838, 6.43654391 ], [ 2.74737371070516, 0.6753056035971886, 11.876004605134195 ], [ 4.38303900929484, 8.625703786402811, 5.439460695134195 ], [ -0.06126787758758652, 2.8284881538503224, 0.9970832148658052 ], [ 7.191680597587588, 6.472521236149678, 7.433627124865805 ], [ 1.2565069396715842, 3.903288061725669, 8.766519768298181 ], [ 5.873905780328417, 5.397721328274332, 2.3299758582981815 ], [ 3.4431196337336636, 2.226970116195865, 4.106568051701818 ], [ 3.687293086266338, 7.074039273804135, 10.543111961701818 ], [ 2.267877984888585, 5.571272476765661, 5.455072017464387 ], [ 4.862534735111415, 3.7297369132343388, 11.891615927464388 ], [ 4.791266117366761, 3.636773138361101, 7.4180158025356135 ], [ 2.3391466026332397, 5.664236251638899, 0.981471892535613 ], [ 2.567030665262903, 0.43139976590000584, 7.4911698274212055 ], [ 4.563382054737097, 8.869609624099994, 1.0546259174212052 ], [ -0.24997759632549266, 2.5909964399840164, 5.381917992578795 ], [ 7.380390316325492, 6.710012950015983, 11.818461902578795 ], [ -0.41701203554147204, 7.703383779436319, 3.218271955 ], [ 7.547424755541472, 1.597625610563681, 9.654815865 ] ]
[{"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Pd", "Pd", "Au", "Au", "Au", "Au", "Au", "Au", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I" ]
2023-11-16 06:57:59
[ 0.23076923076923078, 0.6923076923076923, 0.07692307692307693 ]
[ [ 1.2364602, 0.00452319, 0 ], [ 0.00452319, 1.2388926, 0 ], [ 0, 0, 1.226529 ] ]
-58.908634
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00121509, 0.00158498, 0 ], [ -0.00121509, -0.00158498, 0 ], [ -0.00364764, 0.00024233, -0.00139358 ], [ 0.00364764, -0.00024233, -0.00139358 ], [ 0.0011812, -0.00345959, 0.00139358 ], [ -0.0011812, 0.00345959, 0.00139358 ], [ 0.00199914, 0.0026077, 0 ], [ -0.00199914, -0.0026077, 0 ], [ -0.00088987, -0.00234756, -0.00157751 ], [ 0.00088987, 0.00234756, -0.00157751 ], [ -0.00203596, -0.00146893, 0.00157751 ], [ 0.00203596, 0.00146893, 0.00157751 ], [ -0.00345571, -0.000642, -0.00011559 ], [ 0.00345571, 0.000642, -0.00011559 ], [ 0.00027736, -0.00350387, 0.00011559 ], [ -0.00027736, 0.00350387, 0.00011559 ], [ 0.00319468, 0.00231166, 0.00169071 ], [ -0.00319468, -0.00231166, 0.00169071 ], [ 0.0014028, 0.00368536, -0.00169071 ], [ -0.0014028, -0.00368536, -0.00169071 ], [ -0.00067516, 0.00515522, -0.00350536 ], [ 0.00067516, -0.00515522, -0.00350536 ], [ 0.0051537, 0.00068665, 0.00350536 ], [ -0.0051537, -0.00068665, 0.00350536 ], [ 0.00036249, -0.00027789, 0 ], [ -0.00036249, 0.00027789, 0 ] ]
0
9.144237
pbe
true
d14956dff72c7b088d4025763a1a30eb_20_Pd2Au6I18
[ "Ba", "Cu", "Sn" ]
28
A9B4C
BaCu9Sn4
Ba2 Cu18 Sn8
3
[ 1, 1, 1 ]
3
[ [ 8.85276397, -0.02424257, 0 ], [ 0.17167278, 8.85113247, 0 ], [ -4.51221837, -4.41344495, 6.20752822 ] ]
agm003235201
[ [ 6.768327562500001, 6.620167425, 0 ], [ 2.2561091875, 2.206722475, 0 ], [ 0.7764005974199207, 5.101013840768491, 4.441700539058308 ], [ 0.7764006855089437, 5.10101392903739, 1.7658276809416922 ], [ 6.0524834741990485, -0.29314830712274875, 3.10376411 ], [ 4.181408998729816, 1.6198010369286306, 3.10376411 ], [ 3.7358177825800793, -0.6875688907684914, 1.7658276809416922 ], [ 3.735817694491056, -0.6875689790373906, 4.441700539058308 ], [ -1.5402650941990483, 4.706593257122748, 3.10376411 ], [ 0.3308093812701829, 2.7936439130713695, 3.10376411 ], [ -0.6474904254108158, 0.6619814294804013, 1.6036497986659723 ], [ 5.159708805410815, 3.751463520519598, 4.603878421334028 ], [ 1.1213344698045513, -1.1464300638267906, 5.281535095849228 ], [ 3.390883910195449, 5.55987501382679, 0.925993124150772 ], [ 3.219211133703722, -3.2912574561732093, 5.281535095849228 ], [ 1.2930072462962772, 7.70470240617321, 0.925993124150772 ], [ 5.159708893238579, 3.7514636087884976, 1.6036497986659723 ], [ -0.6474905132385786, 0.6619813412115026, 4.603878421334028 ], [ -2.1702727950000003, 2.21884376, 3.10376411 ], [ 2.1702728, -2.21884376, 3.10376411 ], [ -3.2943652981933456, 1.1193578802416964, 5.395502830957141 ], [ 5.558398577870418, 1.095115221972797, 0.8120253890428601 ], [ 2.8203260798252567, 3.8944661992841314, 3.10376411 ], [ -0.5562928001481848, -1.6799930970696382, 3.10376411 ], [ 7.806583678193345, 3.2940870697583033, 0.8120253890428601 ], [ -1.0461801978704177, 3.3183297280272024, 5.395502830957141 ], [ 1.6918923001747426, 0.5189787507158687, 3.10376411 ], [ 5.0685111801481835, 6.093438047069638, 3.10376411 ] ]
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
[ "Ba", "Ba", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn" ]
2023-11-16 06:57:59
[ 0.07142857142857142, 0.6428571428571429, 0.2857142857142857 ]
[ [ -6.082606, 0.14573589, 0 ], [ 0.14573589, -6.0890574, 0 ], [ 0, 0, -6.231603 ] ]
-113.786156
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00785012, -0.00767828, 0.00280633 ], [ -0.00785012, -0.00767828, -0.00280633 ], [ -0.00588782, -0.00968449, 0 ], [ -0.00981241, -0.00567207, 0 ], [ 0.00785012, 0.00767828, -0.00280633 ], [ 0.00785012, 0.00767828, 0.00280633 ], [ 0.00588782, 0.00968449, 0 ], [ 0.00981241, 0.00567207, 0 ], [ -0.00938287, 0.00959286, -0.01391413 ], [ 0.00938287, -0.00959286, 0.01391413 ], [ -0.0097293, 0.00994705, -0.01341869 ], [ 0.0097293, -0.00994705, 0.01341869 ], [ 0.0097293, -0.00994705, -0.01341869 ], [ -0.0097293, 0.00994705, 0.01341869 ], [ 0.00938287, -0.00959286, -0.01391413 ], [ -0.00938287, 0.00959286, 0.01391413 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00079464, 0.00077725, 0.00455578 ], [ 0.00079464, 0.00077725, -0.00455578 ], [ 0.00398022, -0.00247963, 0 ], [ -0.00239094, 0.00403412, 0 ], [ -0.00079464, -0.00077725, -0.00455578 ], [ -0.00079464, -0.00077725, 0.00455578 ], [ -0.00398022, 0.00247963, 0 ], [ 0.00239094, -0.00403412, 0 ] ]
0.000014
7.345681
pbe
true
8782ab3ef1dded0868e9d94e064905b3_140_Ba2Cu18Sn8
[ "Au", "In", "Zn" ]
5
A2B2C
Au2InZn2
Zn2 In1 Au2
3
[ 1, 1, 1 ]
3
[ [ 4.03535368, 0, 0 ], [ 0, 4.03535368, 0 ], [ 2.01767684, 2.01767684, 6.08799924 ] ]
agm002950950
[ [ 2.0176768601767683, 2.0176768601767683, 1.2387871203150709 ], [ 4.035353659823231, 4.035353659823231, 4.84921211968493 ], [ 4.03535368, 2.01767684, 3.04399962 ], [ 2.01767684, 4.03535368, 3.04399962 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Zn", "Zn", "Au", "Au", "In" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.4 ]
[ [ 9.503626, 0, 0 ], [ 0, 9.503626, 0 ], [ 0, 0, 1.1007638 ] ]
-12.072148
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.02326803 ], [ 0, 0, 0.02326803 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
1.68843
pbe
true
0a93d66fd0ff184c405d4c18d3f9560c_139_Zn2In1Au2
[ "Au", "La", "Tm" ]
12
ABC
AuLaTm
La4 Tm4 Au4
3
[ 1, 1, 1 ]
3
[ [ 4.91114666, 0, 0 ], [ 0, 8.35775727, 0 ], [ 0, 0, 8.2721374 ] ]
agm003602917
[ [ 1.227786665, 7.056146814015892, 3.801666966555382 ], [ 3.683359995, 2.8772681790158914, 0.334401733444618 ], [ 1.227786665, 5.480489090984109, 7.937735666555382 ], [ 3.683359995, 1.3016104559841088, 4.470470433444618 ], [ 3.683359995, 7.713755214636939, 1.162565611146382 ], [ 3.683359995, 4.822880690363061, 5.298634311146382 ], [ 1.227786665, 0.6440020553630608, 7.109571788853618 ], [ 1.227786665, 3.5348765796369395, 2.9735030888536182 ], [ 3.683359995, 5.106820449648225, 2.423475520429152 ], [ 3.683359995, 7.4298154553517755, 6.559544220429152 ], [ 1.227786665, 0.9279418146482248, 1.712593179570848 ], [ 1.227786665, 3.2509368203517757, 5.848661879570848 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "La", "La", "La", "La", "Tm", "Tm", "Tm", "Tm", "Au", "Au", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 2.2245798, 0, 0 ], [ 0, 1.9803426, 0 ], [ 0, 0, 1.8605051 ] ]
-57.951025
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00024627, -0.00117881 ], [ 0, -0.00024627, 0.00117881 ], [ 0, 0.00024627, -0.00117881 ], [ 0, 0.00024627, 0.00117881 ], [ 0, 0.00429158, -0.00163588 ], [ 0, -0.00429158, -0.00163588 ], [ 0, -0.00429158, 0.00163588 ], [ 0, 0.00429158, 0.00163588 ], [ 0, -0.00345457, -0.00274249 ], [ 0, 0.00345457, -0.00274249 ], [ 0, -0.00345457, 0.00274249 ], [ 0, 0.00345457, 0.00274249 ] ]
-0.002744
13.747694
pbe
true
137d80c243784bce94be1adf054a4b9b_62_La4Tm4Au4
[ "Au", "Li", "Ta" ]
4
A2BC
AuLiTa2
Li1 Ta2 Au1
3
[ 1, 1, 1 ]
3
[ [ 5.52865761, 0.00389764, 0.00792505 ], [ 2.87663097, 4.72134137, -0.00792505 ], [ -3.79959478, -3.07956557, 2.57788446 ] ]
agm004364920
[ [ 2.96585356, -0.3565242125000001, 1.292904755 ], [ 1.6398402399999996, 2.0021976525000005, 1.284979705 ], [ 4.595614514146408, 1.6400071223887687, 2.57788446 ], [ 4.212723575853593, 2.3682858226112318, -2.6754982625654124e-19 ] ]
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Au", "Li", "Ta", "Ta" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 3.5241714, -0.0656938, 0.06706793 ], [ -0.0656938, 3.6040964, -0.11929919 ], [ 0.06706793, -0.11929919, 3.554584 ] ]
-28.662862
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00534358, -0.00300402, 0 ], [ 0.00534358, 0.00300402, 0 ] ]
0.000001
1.962089
pbe
true
91f1fdc0833f079490caea292f441441_71_Li1Ta2Au1
[ "Au", "Li", "Sr" ]
12
A4BC
AuLi4Sr
Sr2 Li8 Au2
3
[ 1, 1, 1 ]
3
[ [ 4.35937445, 0, 0 ], [ 0, 7.97840896, 0 ], [ 0, 0, 8.305784 ] ]
agm005884550
[ [ 0, 4.761025550426931, 6.229337999999999 ], [ 0, 3.217383409573069, 2.076446 ], [ 0, 0, 4.152892 ], [ 0, 0, 0 ], [ 2.179687225, 7.7893738038516736, 6.229337999999999 ], [ 2.179687225, 0.18903515614832642, 2.076446 ], [ 2.179687225, 5.762745990933965, 0.5801763714885599 ], [ 2.179687225, 2.2156629690660354, 7.725607628511439 ], [ 2.179687225, 5.762745990933965, 3.57271562851144 ], [ 2.179687225, 2.2156629690660354, 4.73306837148856 ], [ 0, 1.5864613043331073, 6.229337999999999 ], [ 0, 6.391947655666893, 2.076446 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Sr", "Sr", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.6666666666666666, 0.16666666666666666 ]
[ [ 1.2168461, 0, 0 ], [ 0, 1.3352158, 0 ], [ 0, 0, 1.1318965 ] ]
-28.338335
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00039243, 0 ], [ 0, 0.00039243, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00144816, 0 ], [ 0, 0.00144816, 0 ], [ 0, 0.00348548, 0.00013704 ], [ 0, -0.00348548, -0.00013704 ], [ 0, 0.00348548, -0.00013704 ], [ 0, -0.00348548, 0.00013704 ], [ 0, -0.00502293, 0 ], [ 0, 0.00502293, 0 ] ]
-0
7.09276
pbe
true
d97a262b7605b1bf3d6c3d05c0368d16_51_Sr2Li8Au2
[ "Au", "Mg", "Nb" ]
4
A2BC
Au2MgNb
Mg1 Nb1 Au2
3
[ 1, 1, 1 ]
3
[ [ 2.94044633, 0, 0 ], [ 0, 4.96855789, 0 ], [ 0, 0, 4.96855789 ] ]
agm001214317
[ [ 1.470223165, 0, 0 ], [ 0, 0, 2.484278945 ], [ 0, 2.484278945, 0 ], [ 1.470223165, 2.484278945, 2.484278945 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Nb", "Au", "Au", "Mg" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 4.477918, 0, 0 ], [ 0, 5.167838, 0 ], [ 0, 0, 5.167838 ] ]
-19.155984
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000001
2.617062
pbe
true
836975f6c2eb612372779179c10a0f52_123_Mg1Nb1Au2
[ "Au", "Mg", "Pd" ]
10
A5B4C
Au5MgPd4
Mg1 Pd4 Au5
3
[ 1, 1, 1 ]
3
[ [ 4.09818422, 1e-8, -0.99293273 ], [ -0.64427281, 6.25329155, -2.65914083 ], [ -0.36458278, -0.76323121, 7.44903511 ] ]
agm006072511
[ [ 1.6844865638085802, -0.76322738884401, 6.95253745742083 ], [ 1.056947987667793, -0.0972986680281223, 4.362445015666314 ], [ 3.536409326621735, 0.5367659940967173, 5.642265714507768 ], [ 2.032339572716367, 5.587367413571322, -0.565554482792494 ], [ -0.447121401654795, 4.953303514677693, -1.8453826306690584 ], [ 2.9485911618729848, 1.8391484127465412, 3.216140526365411 ], [ 2.624548178397345, 4.26246608520403, 1.8787005623266546 ], [ 0.46473528380259504, 1.22760266033916, 1.9181909634798948 ], [ 1.3623505233913602, 2.3634191493872, 5.62295959338572 ], [ 0.14069266490973562, 3.6509210960278584, 0.5807435504060285 ] ]
[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Mg", "Pd", "Pd", "Pd", "Pd", "Au", "Au", "Au", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.5, 0.1, 0.4 ]
[ [ 7.8799224, 0.00188752, 0.02390896 ], [ 0.00188751, 8.31333, 0.00779323 ], [ 0.02390896, 0.00779327, 7.972815 ] ]
-40.255167
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ -0.00006633, 0.00014643, -0.00027376 ], [ 0.00012081, -0.00069223, 0.00049862 ], [ 0.00006633, -0.00014643, 0.00027376 ], [ -0.00012081, 0.00069223, -0.00049862 ], [ 0.0001949, -0.00038213, 0.0008044 ], [ -0.00075138, 0.00162264, -0.00310122 ], [ 0.00075138, -0.00162264, 0.00310122 ], [ 0, 0, 0 ], [ -0.0001949, 0.00038213, -0.0008044 ] ]
0
3.165932
pbe
true
78efee7a226ca00f9176b56b738da305_12_Mg1Pd4Au5
[ "Au", "Mg", "Tm" ]
3
ABC
AuMgTm
Tm1 Mg1 Au1
3
[ 1, 1, 1 ]
3
[ [ 4.75107896, 0, 0 ], [ 2.37553948, 4.11455507, 0 ], [ 2.37553948, 1.37151836, 3.87923972 ] ]
agm001239229
[ [ 4.75107896, 2.7430367149999997, 1.93961986 ], [ 0, 0, 0 ], [ 2.37553948, 1.3715183574999998, 0.96980993 ] ]
[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Mg", "Tm", "Au" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 2.06514, 0, 0 ], [ 0, 2.06514, 0 ], [ 0, 0, 2.06514 ] ]
-10.904939
[ 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000297
2.828147
pbe
true
493f13403841e6713fb937ff2cfe9b7a_216_Tm1Mg1Au1
[ "Au", "Mn", "Si" ]
5
A2B2C
Au2Mn2Si
Mn2 Si1 Au2
3
[ 1, 1, 1 ]
3
[ [ 3.2989225, 0, 0 ], [ 0, 3.2989225, 0 ], [ 1.64946125, 1.64946125, 7.20140664 ] ]
agm002946066
[ [ 0, 0, 0 ], [ 3.2989225, 1.64946125, 3.60070332 ], [ 1.64946125, 3.2989225, 3.60070332 ], [ 1.6494612664946127, 1.6494612664946127, 1.4367656732924186 ], [ 3.298922483505388, 3.298922483505388, 5.764640966707582 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Si", "Mn", "Mn", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.4, 0.4, 0.2 ]
[ [ 7.6671968, 0, 0 ], [ 0, 7.6671968, 0 ], [ 0, 0, 5.6326313 ] ]
-27.785766
[ 0.012, 1.461, 1.461, 0.028, 0.028 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00838966 ], [ 0, 0, -0.00838966 ] ]
3.051529
5.709049
pbe
true
03a4a3fd28bfbb6adb34dc4058e5573e_139_Mn2Si1Au2
[ "Au", "Mo", "Si" ]
4
A2BC
Au2MoSi
Si1 Mo1 Au2
3
[ 1, 1, 1 ]
3
[ [ 5.65521003, -0.00842771, -0.00803052 ], [ 4.91321502, 2.80031955, -0.00803052 ], [ 1.82417772, 0.48189838, 4.11692224 ] ]
agm004359896
[ [ 2.1158151096965896, 0.5589410844734642, 3.9784369283966328 ], [ 5.904663995303411, 1.559852405526536, 2.188915911603367 ], [ 3.0981506925, 0.8184475550000001, 1.0252153 ], [ 9.2944520775, 2.4553426650000003, 3.0756459 ] ]
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Au", "Au", "Mo", "Si" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 7.227105, -0.00698353, 0.00195956 ], [ -0.00698353, 7.2516956, 0.00051766 ], [ 0.00195916, 0.00051756, 7.4244018 ] ]
-22.145707
[ 0, 0, 0, 0 ]
[ [ 0.00711028, 0.00187834, 0.00273524 ], [ -0.00711028, -0.00187834, -0.00273524 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000035
2.674927
pbe
true
918b5168fe11e7db77730ee8f641c034_71_Si1Mo1Au2
[ "Au", "Na", "Sn" ]
7
A3B2C2
Au3Na2Sn2
Na2 Sn2 Au3
3
[ 1, 1, 1 ]
3
[ [ 4.4478715, 0, 0 ], [ -2.22393575, 5.88048758, -0.4694059 ], [ 0, -3.27026997, 6.7404765 ] ]
agm003304926
[ [ 2.223933548303607, 3.4632260536182953, 1.254641338353943 ], [ 0.000002201696392491643, -0.853008443618296, 5.016429261646056 ], [ 2.22393797393575, 1.7221126945570666, 4.710081796216567 ], [ -0.000002223935749888605, 0.8881049154429327, 1.5609888037834332 ], [ 2.22393575, 0, 0 ], [ 2.2239357277606424, -0.3372200826599871, 2.854936807892264 ], [ 2.223935762534344e-8, 2.9474376926599866, 3.4161337921077357 ] ]
[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Na", "Na", "Sn", "Sn", "Au", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.42857142857142855, 0.2857142857142857, 0.2857142857142857 ]
[ [ 4.4989495, 0, 0 ], [ 0, 4.537926, -0.11255287 ], [ 0, -0.11255284, 4.438551 ] ]
-22.38529
[ 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00087521, 0.00479162 ], [ 0, 0.00087521, -0.00479162 ], [ 0, 0.0046507, -0.00007195 ], [ 0, -0.0046507, 0.00007195 ], [ 0, 0, 0 ], [ 0, 0.00096573, -0.00126636 ], [ 0, -0.00096573, 0.00126636 ] ]
-0.000001
3.37258
pbe
true
a2a87b84067efd7e5adad8318b096d70_12_Na2Sn2Au3
[ "Au", "Nb", "Sr" ]
4
A2BC
AuNb2Sr
Sr1 Nb2 Au1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.44780467, 3.44780467 ], [ 3.44780467, 0, 3.44780467 ], [ 3.44780467, 3.44780467, 0 ] ]
agm002742157
[ [ 0, 0, 0 ], [ 1.723902335, 1.723902335, 1.723902335 ], [ 5.171707005, 5.171707005, 5.171707005 ], [ 3.44780467, 3.44780467, 3.44780467 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Sr", "Nb", "Nb", "Au" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 4.255606, 0, 0 ], [ 0, 4.255606, 0 ], [ 0, 0, 4.255606 ] ]
-21.889728
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
6.692446
pbe
true
2389449fd650fb280f38de58dbea4c66_225_Sr1Nb2Au1
[ "Au", "Nd", "Zn" ]
7
A4B2C
AuNd4Zn2
Nd4 Zn2 Au1
3
[ 1, 1, 1 ]
3
[ [ 4.94993989, 0.0000039, 1.54647305 ], [ 2.23339578, 4.41744764, 1.54647305 ], [ -0.07523825, -0.04626877, 8.93590241 ] ]
agm005982054
[ [ 6.243898676122234, 3.83973686196492, 6.099879869320533 ], [ 0.8641987438777653, 0.5314459080350795, 5.928968640679467 ], [ 4.460207067125776, 2.7428410855632457, 3.1139907835566003 ], [ 2.6478903528742235, 1.6283416844367542, 8.914857726443401 ], [ 5.345879754359244, 3.2874925756132156, 8.974260689122714 ], [ 1.7622176656407558, 1.0836901943867843, 3.0545878208772868 ], [ 0, 0, 0 ] ]
[{"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": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Nd", "Nd", "Nd", "Nd", "Zn", "Zn", "Au" ]
2023-11-16 06:57:59
[ 0.14285714285714285, 0.5714285714285714, 0.2857142857142857 ]
[ [ 1.5271686, -0.00174666, 0.00910302 ], [ -0.00174666, 1.5289345, 0.00559791 ], [ 0.00910302, 0.00559791, 1.5008717 ] ]
-26.911582
[ 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00003064, 0.00001884, -0.00009808 ], [ -0.00003064, -0.00001884, 0.00009808 ], [ -0.00030174, -0.00018556, 0.00096581 ], [ 0.00030174, 0.00018556, -0.00096581 ], [ 0.00011584, 0.00007123, -0.00037076 ], [ -0.00011584, -0.00007123, 0.00037076 ], [ 0, 0, 0 ] ]
0.001095
8.874314
pbe
true
36b18fcad23915da808446ddd8593f81_166_Nd4Zn2Au1
[ "Au", "Ni", "Tl" ]
4
A2BC
Au2NiTl
Tl1 Ni1 Au2
3
[ 1, 1, 1 ]
3
[ [ 4.67906254, -0.04598729, 0.05034909 ], [ 3.57105022, 3.02379586, 0.05034909 ], [ 1.19390744, 0.43093081, 5.20019479 ] ]
agm004120373
[ [ 1.1836585470851317, 0.4272315586970468, 5.075404585785313 ], [ 7.139444041708557, 2.576922067295888, 3.8547838458819537 ], [ 4.744235787286399, 1.7123918641391662, 2.7864612820637586 ], [ 2.292599281418785, 0.8274943600898126, 1.434884530261994 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Au", "Au", "Ni", "Tl" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 0.13470006, 0.94696623, -5.4936943 ], [ 0.94696623, -2.1471004, -1.9829026 ], [ -5.493695, -1.9829028, -8.000228 ] ]
-13.915985
[ 0, 0, 0, 0 ]
[ [ -0.00599363, -0.00216335, -0.00181824 ], [ -0.01178997, -0.00425549, -0.01558951 ], [ 0.01888954, 0.00681802, 0.01590055 ], [ -0.00110593, -0.00039918, 0.00150719 ] ]
0
1.485763
pbe
true
0dd18507e54c0ae910fe0f0d2fb89013_8_Tl1Ni1Au2
[ "Au", "Ni", "Sm" ]
5
A2B2C
AuNi2Sm2
Sm2 Ni2 Au1
3
[ 1, 1, 1 ]
3
[ [ 3.73793904, 0, 0 ], [ 0, 3.77703396, -1.07377145 ], [ 0, 0.00682406, 7.20382531 ] ]
agm005835837
[ [ 1.86896952, 2.3846190408752475, 1.2081663737183954 ], [ 1.86896952, 1.3992389791247528, 4.921887486281605 ], [ 0, 0.752747589179132, 2.647827595197238 ], [ 0, 3.031110430820868, 3.482226264802762 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Sm", "Sm", "Ni", "Ni", "Au" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.4 ]
[ [ -3.2829814, 0, 0 ], [ 0, -3.8619983, 0.03837683 ], [ 0, 0.03837683, -3.7379174 ] ]
-27.058808
[ 0, 0, 0, 0, 0 ]
[ [ 0, -0.00002393, -0.00008416 ], [ 0, 0.00002393, 0.00008416 ], [ 0, -0.00033068, -0.00116316 ], [ 0, 0.00033068, 0.00116316 ], [ 0, 0, 0 ] ]
-0
4.33255
pbe
true
5a1ac13a1188c2e5b646bf73eb18a08b_65_Sm2Ni2Au1
[ "Au", "Ni", "Zr" ]
12
ABC
AuNiZr
Zr4 Ni4 Au4
3
[ 1, 1, 1 ]
3
[ [ 5.12930407, 0, 0 ], [ 0, 5.84230462, -2.06030314 ], [ 0, -0.027202, 6.88960641 ] ]
agm005689548
[ [ 4.466050225774365, 1.8858462341006874, 0.23746772273582625 ], [ 1.9013981907743647, 3.9428573858993126, 1.147032342264174 ], [ 0.6632538442256353, 3.9292563858993126, 4.591835547264174 ], [ 3.227905879225635, 1.8722452341006874, 3.682270927735826 ], [ 0.7136909579554744, 2.0301529067232527, 2.6958710241117076 ], [ 3.278342992955474, 3.7985507132767475, -1.3113709591117073 ], [ 4.415613112044525, 3.7849497132767476, 2.133432245888293 ], [ 1.8509610770445257, 2.0165519067232527, 6.140674229111707 ], [ 4.664379127549374, 5.394056174170109, 0.0955062867478234 ], [ 2.099727092549374, 0.43464744582989057, 1.2889937782521772 ], [ 0.4649249424506258, 0.4210464458298906, 4.733796983252177 ], [ 3.029576977450626, 5.38045517417011, 3.540309491747823 ] ]
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Zr", "Zr", "Zr", "Zr", "Ni", "Ni", "Ni", "Ni", "Au", "Au", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ -3.6353343, 0, 0 ], [ 0, -3.5985093, -0.00233079 ], [ 0, -0.00232983, -4.250875 ] ]
-75.90735
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00002984, 0.00055639, -0.00129018 ], [ 0.00002984, -0.00055639, 0.00129018 ], [ -0.00002984, -0.00055639, 0.00129018 ], [ -0.00002984, 0.00055639, -0.00129018 ], [ 0.00132437, -0.0048698, -0.00207884 ], [ 0.00132437, 0.0048698, 0.00207884 ], [ -0.00132437, 0.0048698, 0.00207884 ], [ -0.00132437, -0.0048698, -0.00207884 ], [ 0.00157069, -0.00008461, -0.00368051 ], [ 0.00157069, 0.00008461, 0.00368051 ], [ -0.00157069, 0.00008461, 0.00368051 ], [ -0.00157069, -0.00008461, -0.00368051 ] ]
-0
8.031818
pbe
true
da3f27fe370ce5df3107145f83180eba_14_Zr4Ni4Au4
[ "Au", "O", "Si" ]
5
A3BC
AuO3Si
Si1 Au1 O3
3
[ 1, 1, 1 ]
3
[ [ 3.61279515, 0, 0 ], [ 0, 3.61279515, 0 ], [ 0, 0, 3.61279515 ] ]
agm002563877
[ [ 0, 0, 0 ], [ 1.806397575, 1.806397575, 1.806397575 ], [ 0, 1.806397575, 0 ], [ 0, 0, 1.806397575 ], [ 1.806397575, 0, 0 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Si", "Au", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.2 ]
[ [ 65.24789, 0, 0 ], [ 0, 65.24789, 0 ], [ 0, 0, 65.24789 ] ]
-28.252089
[ 0, 0, -0.006, 0.007, -0.001 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000084
8.345737
pbe
true
513edf73b4cc789280a9e611caf5b4c9_221_Si1Au1O3
[ "Au", "Pb", "Pd" ]
11
A7B3C
Au3PbPd7
Pd7 Pb1 Au3
3
[ 1, 1, 1 ]
3
[ [ 5.16136637, -0.33404942, -0.42779604 ], [ -2.77694829, 6.49164983, 0.61251532 ], [ -2.77694829, -0.97954827, 6.44648569 ] ]
agm003582488
[ [ 0.7527593787153533, 1.0339314453088737, 1.324090825883302 ], [ -0.1258707833086141, -0.22609118200923048, 3.6737943742929478 ], [ -0.26665942669138626, 1.5590419846487515, 5.959901892492292 ], [ -0.12587078330861415, 3.6190101553512486, 0.671303077507709 ], [ -2.77694829, 2.75605078, 3.529500505 ], [ -0.2666594266913865, 5.40414332200923, 2.957410595707053 ], [ -1.1452895887153534, 4.144120694691127, 5.3071141441166985 ], [ -0.19626510500000016, 2.58902607, 3.3156024850000003 ], [ -2.77694829, 4.884916604344243, 1.8671513108419788 ], [ 2.580683185, -0.16702471, -0.21389802 ], [ -2.77694829, 0.6271849556557569, 5.191849699158022 ] ]
[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pb", "Au", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.2727272727272727, 0.09090909090909091, 0.6363636363636364 ]
[ [ 7.115322, 0.07545742, 0.09663356 ], [ 0.07545745, 7.305509, 0.04875625 ], [ 0.0966336, 0.04875625, 7.3298764 ] ]
-48.894319
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00335281, 0.00432371, 0.0055371 ], [ 0.00172885, 0.00187148, 0.00069417 ], [ -0.00172885, -0.00021975, -0.00198394 ], [ 0.00172885, 0.00021975, 0.00198394 ], [ 0, 0, 0 ], [ -0.00172885, -0.00187148, -0.00069417 ], [ 0.00335281, -0.00432371, -0.0055371 ], [ 0, 0, 0 ], [ 0, 0.00262577, -0.00205036 ], [ 0, 0, 0 ], [ 0, -0.00262577, 0.00205036 ] ]
-0
8.327857
pbe
true
1e0e88267c6820dd7b83b800a41fd49b_12_Pd7Pb1Au3
[ "Au", "Pb", "Sm" ]
6
ABC
AuPbSm
Au1 Pb1 Sm1
3
[ 1, 1, 1 ]
3
[ [ 5.286874912, 0, 0 ], [ -2.643437456, 4.578567981, 0 ], [ 0, 0, 6.344235775 ] ]
oqmd-5940599
[ [ 0, 0, 0 ], [ 0, 0, 3.17212 ], [ 7.885867996573909e-19, 3.052379999999999, 1.58606 ], [ 2.6434399999999996, 1.5261899999999995, 4.75818 ], [ 2.6434399999999996, 1.5261899999999995, 1.58606 ], [ 7.885867996573909e-19, 3.052379999999999, 4.75818 ] ]
[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"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"]}]
[ "Au", "Au", "Pb", "Pb", "Sm", "Sm" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 9.24478079, 0, 0 ], [ 0, 9.24478079, 0 ], [ 0, 0, 9.09472564 ] ]
-25.6384
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.004045
null
pbe
true
ccd767455c0fe1d1fa85bcd5fcb2d002_194_Sm2Pb2Au2
[ "Au", "Pd", "Pm" ]
7
A3B2C2
Au3Pd2Pm2
Pm2 Pd2 Au3
3
[ 1, 1, 1 ]
3
[ [ 4.2154277, 0, 0 ], [ -2.10771385, 5.05835892, 0.16023202 ], [ 0, -0.95919083, 6.9897492 ] ]
agm003308617
[ [ 2.107713828922862, 0.8445135322072542, 2.2311455820335766 ], [ 2.1077138604416524e-8, 3.2546545577927453, 4.918835637966423 ], [ 2.740105120108538e-17, 0.3662573739045188, 4.51608494589998 ], [ 2.10771385, 3.7329107160954806, 2.6338962741000205 ], [ -7.502524512122477e-17, 2.9322370960112476, 0.9870487825541865 ], [ 0, 0, 0 ], [ 2.1077138499999997, 1.166930993988752, 6.162932437445814 ] ]
[{"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Pm", "Pm", "Pd", "Pd", "Au", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.42857142857142855, 0.2857142857142857, 0.2857142857142857 ]
[ [ 4.865833, 0, 0 ], [ 0, 4.7575603, -0.06804081 ], [ 0, -0.06804079, 4.5482664 ] ]
-34.686778
[ 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00055718, -0.00310529 ], [ 0, -0.00055718, 0.00310529 ], [ 0, -0.00282092, 0.00669785 ], [ 0, 0.00282092, -0.00669785 ], [ 0, -0.00175638, 0.00168263 ], [ 0, 0, 0 ], [ 0, 0.00175638, -0.00168263 ] ]
-0.000005
2.302329
pbe
true
6cdd700902c7c4821d81124769370ed9_12_Pm2Pd2Au3
[ "Au", "Pm", "Rh" ]
13
A8B3C2
Au2Pm8Rh3
Pm8 Rh3 Au2
3
[ 1, 1, 1 ]
3
[ [ 4.99664662, -0.00001101, 0.0000169 ], [ 0.00003537, 8.75408654, -5.04088314 ], [ -0.0000251, -0.8271341, 8.71122099 ] ]
agm005642788
[ [ 0.000020915130762600003, 5.220275691351918, -1.0479445066875916 ], [ 4.996635974869237, 2.706665738648082, 4.71829925668759 ], [ 4.996639846318034, 0.8480248574168539, 1.4810748031408902 ], [ 0.000017043681965499997, 7.078916572583146, 2.1892799468591093 ], [ 2.4983266497540546, 4.925847203019076, 3.432136246346221 ], [ 2.4983086911651164, 0.4837450169181039, 5.994099984015128 ], [ 2.4983481988348837, 7.443196413081895, -2.3237452340151297 ], [ 2.498330240245945, 3.001094226980923, 0.23821850365377817 ], [ 2.49832331, -0.000005505, 0.00000845 ], [ 0.0000089462779751, 2.215774219616292, -1.2735166716102089 ], [ 4.996647943722025, 5.711167210383708, 4.943871421610209 ], [ 2.4983095039468903, 1.8159710486587217, 3.1743456714201606 ], [ 2.4983473860531094, 6.110970381341279, 0.4960090785798379 ] ]
[{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Rh", "Rh", "Rh", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.15384615384615385, 0.6153846153846154, 0.23076923076923078 ]
[ [ 3.274994, 7.2e-7, 0.00000272 ], [ 7.2e-7, 3.120169, -0.02859038 ], [ 0.00000272, -0.0285901, 3.1373782 ] ]
-73.476409
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -1e-8, -0.00224771, -0.00014264 ], [ 1e-8, 0.00224771, 0.00014264 ], [ -1e-8, -0.00269749, -0.00017163 ], [ 1e-8, 0.00269749, 0.00017163 ], [ 2e-8, 0.00390629, -0.00203016 ], [ -1e-8, 0.00035337, 0.00238399 ], [ 1e-8, -0.00035337, -0.00238399 ], [ -2e-8, -0.00390629, 0.00203016 ], [ 0, 0, 0 ], [ 1e-8, 0.00112557, -0.00291273 ], [ -1e-8, -0.00112557, 0.00291273 ], [ 0, 0.00053155, 0.00183862 ], [ 0, -0.00053155, -0.00183862 ] ]
-0.000015
15.656999
pbe
true
3784b6fb844b80126bd6fc5c77f98176_10_Pm8Rh3Au2
[ "Au", "Pm", "Sb" ]
8
A2BC
AuPmSb2
Pm2 Sb4 Au2
3
[ 1, 1, 1 ]
3
[ [ 4.43116243, 0.08621791, 0 ], [ -0.08671174, 4.4311528, 0 ], [ -2.17222535, -2.25868535, 10.37509044 ] ]
agm003631579
[ [ -0.00029270859749960104, -0.0003043566193254291, 2.5569635528842545 ], [ 2.171932633867022, 2.2583810009161525, 7.818126887115745 ], [ -0.0003255982551197166, -0.000338550949703571, 7.051238174621955 ], [ 2.1718997485411946, 2.258346802253981, 3.323852265378044 ], [ 4.385471419195179, 2.299735390183752, 0 ], [ 2.126903218621159, 4.471848071249983, 0 ], [ -0.041397090017399885, 2.217613149432017, 5.18754522 ], [ 2.2175399949826, 0.0451457044320176, 5.18754522 ] ]
[{"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": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Pm", "Pm", "Sb", "Sb", "Sb", "Sb", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 1.0887657, -0.00012124, 0 ], [ -0.00012124, 1.0887562, 0 ], [ 0, 0, 1.2441522 ] ]
-37.995434
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.00020574 ], [ 0, 0, 0.00020574 ], [ 0, 0, -0.00446575 ], [ 0, 0, 0.00446575 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.852986
pbe
true
171fa7fa88337faec8ef70b9a8566daa_139_Pm2Sb4Au2
[ "Au", "Sb", "Te" ]
18
A4B3C2
Au2Sb3Te4
Sb6 Te8 Au4
3
[ 1, 1, 1 ]
3
[ [ 7.06927693, 0.02911455, 0.02084527 ], [ 0.22638338, 8.6275484, -1.9088366 ], [ 0.22638382, 0.97286571, 8.78246959 ] ]
agm003340994
[ [ 0.4516553494163577, 8.445881719860072, 0.5595864305662377 ], [ 3.5357500169819724, 6.363864750630758, -0.9310805489568281 ], [ 7.0703887805836425, 1.183646940139927, 6.334891829433762 ], [ 3.9862941130180283, 3.2656639093692426, 7.825558808956828 ], [ 1.9937027880184377, 5.581331705516898, 2.3611959865272927 ], [ 5.528341341981562, 4.048196954483102, 4.533282273472707 ], [ 4.534350626131962, 0.8937408446906058, 2.140577886481875 ], [ 6.522332050528574, 7.329696225398164, 6.74854529680241 ], [ 2.9876935038680372, 8.735787815309394, 4.753900373518125 ], [ 0.9997120794714254, 2.2998324346018353, 0.14593296319759033 ], [ 0.9900490193984948, 2.3593678314680218, 3.8549961036936695 ], [ 2.997356763452161, 5.205354970603922, 5.892644630370786 ], [ 6.531995110601506, 7.270160828531978, 3.03948215630633 ], [ 4.524687366547838, 4.424173689396078, 1.0018336296292139 ], [ 4.178953061559482, 1.761519352435485, 4.966715592325998 ], [ 6.87772973507864, 4.374666934429557, 6.83767372575377 ], [ 3.3430910684405175, 7.868009307564515, 1.9277626676740018 ], [ 0.6443143949213599, 5.254861725570442, 0.05680453424623046 ] ]
[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Au", "Au", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.2222222222222222, 0.3333333333333333, 0.4444444444444444 ]
[ [ 0.76173687, 0.0708562, 0.05073113 ], [ 0.07085609, 0.6572719, -0.01203387 ], [ 0.05073105, -0.01203387, 0.6654636 ] ]
-62.88156
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00182562, -0.00089386, -0.00108881 ], [ -0.00182562, 0.00131875, 0.00049536 ], [ -0.00182562, 0.00089386, 0.00108881 ], [ 0.00182562, -0.00131875, -0.00049536 ], [ 0, 0.00073427, -0.00102555 ], [ 0, -0.00073427, 0.00102555 ], [ -0.00150593, 0.0002956, 0.00488505 ], [ 0.00150593, -0.00471977, 0.00129419 ], [ 0.00150593, -0.0002956, -0.00488505 ], [ -0.00150593, 0.00471977, -0.00129419 ], [ 0.00027873, 0.00179804, -0.00207532 ], [ -0.00027873, 0.00138529, -0.00237084 ], [ -0.00027873, -0.00179804, 0.00207532 ], [ 0.00027873, -0.00138529, 0.00237084 ], [ -0.00407704, -0.00322, -0.00105479 ], [ 0.00407704, 0.00203606, 0.0027084 ], [ 0.00407704, 0.00322, 0.00105479 ], [ -0.00407704, -0.00203606, -0.0027084 ] ]
0
7.85039
pbe
true
257e3fd1340d3839a0606678342d36b1_15_Sb6Te8Au4
[ "Au", "Sb", "Th" ]
4
A2BC
Au2SbTh
Th1 Sb1 Au2
3
[ 1, 1, 1 ]
3
[ [ 4.69457337, 0, 0 ], [ 2.34728668, 4.0656198, 0 ], [ 2.34728668, 1.3552066, 5.09617664 ] ]
agm001957343
[ [ 4.694573365, 2.7104132, 2.54808832 ], [ 7.041860024155255, 4.065619786447935, 3.62625272599721 ], [ 2.3472867058447444, 1.355206613552066, 1.4699239140027904 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Sb", "Au", "Au", "Th" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 3.289797, 0, 0 ], [ 0, 3.289797, 0 ], [ 0, 0, 3.3528483 ] ]
-20.41541
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.00093769 ], [ 0, 0, -0.00093769 ], [ 0, 0, 0 ] ]
-0.000003
1.798355
pbe
true
3476d604a1edf64019be118a69a6cf37_166_Th1Sb1Au2
[ "Au", "Tb", "Tl" ]
18
A6B2C
Au2Tb6Tl
Tb12 Tl2 Au4
3
[ 1, 1, 1 ]
3
[ [ 8.20806886, -0.17004845, -2.99992519 ], [ -4.43661055, 7.16113745, -2.33140127 ], [ -0.09591807, 0.17004947, 8.73857759 ] ]
agm005805584
[ [ 1.0960059624046932, 5.152744038272191, 3.880486749191734 ], [ 2.579534277595306, 2.008394431727809, -0.4732356191917341 ], [ -0.5085294395418124, 2.1784435272039664, 6.148655098336806 ], [ 4.184069679541812, 4.982694942796034, -2.7414039683368063 ], [ 3.136741792750931, 5.4194947807608544, 0.742232069643022 ], [ 0.5387984472490682, 1.741643689239146, 2.6650190603569786 ], [ -1.8401775167441685, 5.589543805385886, 6.0279277448675 ], [ 5.515717756744167, 1.5715946646141135, -2.6206766148675 ], [ 4.031794125808352, 2.675078544665734, 2.9036505518598243 ], [ -0.3562538858083528, 4.486059925334266, 0.5036005781401751 ], [ -1.923511178779091, 7.021037005413174, 2.7190733653521426 ], [ 5.59905141877909, 0.140101464586826, 0.6881777646478564 ], [ -2.26626431, 3.66559346, 3.20358816 ], [ 0, 0, 0 ], [ 2.38850336275627, 2.6972327386059933, 5.226603766817946 ], [ 1.287036877243729, 4.463905731394007, -1.8193526368179458 ], [ 5.323839075600883, 6.694051920133372e-7, 3.76616050161104 ], [ -1.6482988356008845, 7.161137800594807, -0.3589093716110403 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tl", "Tl", "Au", "Au", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.2222222222222222, 0.6666666666666666, 0.1111111111111111 ]
[ [ 1.6786969, -0.05766356, -0.1584607 ], [ -0.05766356, 1.8890746, 0.08151367 ], [ -0.1584607, 0.08151367, 1.7905991 ] ]
-81.751479
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00019297, 0.00013921, -0.00002277 ], [ -0.00019297, -0.00013921, 0.00002277 ], [ 0.00004278, -0.00013921, 0.00018954 ], [ -0.00004278, 0.00013921, -0.00018954 ], [ 0.00123928, -0.00188774, -0.00159876 ], [ -0.00123928, 0.00188774, 0.00159876 ], [ 0.00109493, -0.00188774, -0.00170087 ], [ -0.00109493, 0.00188774, 0.00170087 ], [ 0.00145003, 0.00469627, -0.00204975 ], [ -0.00145003, -0.00469627, 0.00204975 ], [ -0.00260721, -0.00282457, 0.00368555 ], [ 0.00260721, 0.00282457, -0.00368555 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00141629, 0.0022908, 0.00200207 ], [ 0.00141629, -0.0022908, -0.00200207 ], [ -0.00323873, 0, -0.00229113 ], [ 0.00323873, 0, 0.00229113 ] ]
-0
16.795446
pbe
true
bfc991db92426f3473acbf3e2fae760e_71_Tb12Tl2Au4
[ "Au", "Ti", "Zn" ]
8
A3B3C2
Au3Ti3Zn2
Ti3 Zn2 Au3
3
[ 1, 1, 1 ]
3
[ [ 4.09358462, 0, 0 ], [ 0, 4.14257434, -0.15402331 ], [ -2.04679231, -1.75794986, 7.83870772 ] ]
agm003331931
[ [ 2.04679231, 0.23440073902004663, 5.834385377257181 ], [ 5.135018482322877e-17, 2.150223740979954, 1.8502990327428193 ], [ 0, 0, 0 ], [ 2.0467923304679227, 2.2301254724585426, 3.833293724435619 ], [ -2.046792300765145e-8, 0.15449900754145757, 3.8513906855643816 ], [ -2.0467923302822908e-8, 2.29597320337023, 5.5534565925455235 ], [ 2.04679231, 2.07128717, -0.077011655 ], [ 2.0467923304679227, 0.08865127662976999, 2.131227817454478 ] ]
[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Ti", "Ti", "Ti", "Zn", "Zn", "Au", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.375, 0.375, 0.25 ]
[ [ 5.3011084, 0, 0 ], [ 0, 5.102098, -0.41019964 ], [ 0, -0.41020077, 4.9443192 ] ]
-38.334691
[ 0.553, 0.553, 0.833, 0.005, 0.005, 0.024, 0.053, 0.024 ]
[ [ 0, -0.00066282, 0.00097883 ], [ 0, 0.00066282, -0.00097883 ], [ 0, 0, 0 ], [ 0, 0.00336674, 0.00128729 ], [ 0, -0.00336674, -0.00128729 ], [ 0, -0.00183845, 0.00013357 ], [ 0, 0, 0 ], [ 0, 0.00183845, -0.00013357 ] ]
2.446221
6.575959
pbe
true
1c6dddb85bb5b78de00fd01045b61a6d_12_Ti3Zn2Au3
[ "B", "Ba", "Nb" ]
4
A2BC
B2BaNb
Ba1 Nb1 B2
3
[ 1, 1, 1 ]
3
[ [ 0, 3.25668673, 3.25668673 ], [ 3.25668673, 0, 3.25668673 ], [ 3.25668673, 3.25668673, 0 ] ]
agm002639152
[ [ 0, 0, 0 ], [ 1.628343365, 1.628343365, 1.628343365 ], [ 4.885030095, 4.885030095, 4.885030095 ], [ 3.25668673, 3.25668673, 3.25668673 ] ]
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}]
[ "Nb", "B", "B", "Ba" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 0.19440953, 0, 0 ], [ 0, 0.19440953, 0 ], [ 0, 0, 0.19440953 ] ]
-19.464932
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000082
6.00156
pbe
true
f8ea00d5f6227f86144ad7d37c36c779_225_Ba1Nb1B2
[ "B", "Be", "Na" ]
4
A2BC
B2BeNa
Na1 Be1 B2
3
[ 1, 1, 1 ]
3
[ [ 0, 2.70243475, 2.70243475 ], [ 2.70243475, 0, 2.70243475 ], [ 2.70243475, 2.70243475, 0 ] ]
agm002648170
[ [ 2.70243475, 2.70243475, 2.70243475 ], [ 1.351217375, 1.351217375, 1.351217375 ], [ 4.053652125, 4.053652125, 4.053652125 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}]
[ "Na", "B", "B", "Be" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ -1.5532033, 0, 0 ], [ 0, -1.5532033, 0 ], [ 0, 0, -1.5532033 ] ]
-12.940841
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
1.035646
pbe
true
474cd78023e59286e63014d594d25d1b_225_Na1Be1B2
[ "B", "Be", "Sr" ]
5
A3BC
B3BeSr
Sr1 Be1 B3
3
[ 1, 1, 1 ]
3
[ [ 4.00146034, 0, 0 ], [ 0, 4.00146034, 0 ], [ 0, 0, 4.00146034 ] ]
agm002422303
[ [ 2.00073017, 2.00073017, 2.00073017 ], [ 0, 2.00073017, 0 ], [ 0, 0, 2.00073017 ], [ 2.00073017, 0, 0 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "B", "B", "B", "Be" ]
2023-11-16 06:57:59
[ 0.6, 0.2, 0.2 ]
[ [ -0.6999102, 0, 0 ], [ 0, -0.6999102, 0 ], [ 0, 0, -0.6999102 ] ]
-19.611428
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.032704
pbe
true
78ea24a5b486bb9addf6f94814e1e0ee_221_Sr1Be1B3
[ "B", "Bi", "F" ]
11
A8B2C
B2BiF8
Bi1 B2 F8
3
[ 1, 1, 1 ]
3
[ [ 6.63683861, 0.52513577, 0.39845148 ], [ 1.07622028, 5.15888876, 0.67782905 ], [ 1.07622028, 2.04190197, 4.78583554 ] ]
agm003524590
[ [ 0, 0, 0 ], [ 6.466046274471358, 6.1132735224210775, 4.638501150006462 ], [ 2.323232895528641, 1.6126529775789225, 1.2236149199935376 ], [ 2.7759451266411954, 3.817677393665987, 4.707903218616601 ], [ 6.013334043358804, 2.1639376971332753, 3.453113383322347 ], [ 5.111264945808577, 6.236576357604144, 4.732058282425583 ], [ 3.6780142241914233, 1.4893501423958555, 1.1300577875744169 ], [ 2.775945126641196, 5.5619888028667255, 2.409002686677653 ], [ 6.013334043358804, 3.908249106334013, 1.1542128513833985 ], [ 6.8629235948568965, 5.023797950442354, 3.8118517824380764 ], [ 1.9263555751431032, 2.702128549557646, 2.050264287561924 ] ]
[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}]
[ "Bi", "B", "B", "F", "F", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.18181818181818182, 0.09090909090909091, 0.7272727272727273 ]
[ [ 4.573568, -0.4422728, -0.33557847 ], [ -0.44227287, 3.4778988, -0.2782673 ], [ -0.33557853, -0.2782673, 3.6335013 ] ]
-60.142067
[ 0.663, 0.001, 0.001, 0.008, 0.008, 0.006, 0.006, 0.008, 0.008, 0.013, 0.013 ]
[ [ 0, 0, 0 ], [ -0.00477724, 0.00025136, 0.00019072 ], [ 0.00477724, -0.00025136, -0.00019072 ], [ 0.00113973, 0.00047626, -0.00112431 ], [ -0.00113973, 0.00095455, -0.00076141 ], [ -0.00308182, 0.00119556, 0.00090714 ], [ 0.00308182, -0.00119556, -0.00090714 ], [ 0.00113973, -0.00095455, 0.00076141 ], [ -0.00113973, -0.00047626, 0.00112431 ], [ 0.00050273, 0.00193144, 0.0014655 ], [ -0.00050273, -0.00193144, -0.0014655 ] ]
1.000044
-0.063898
pbe
true
f849b4facb6e06c255980559e32bf2a3_12_Bi1B2F8
[ "B", "Bi", "O" ]
7
A4B2C
B2BiO4
Bi1 B2 O4
3
[ 1, 1, 1 ]
3
[ [ 5.78320669, 0, 0 ], [ 0, 3.55701947, 0 ], [ 0, 0, 3.55701947 ] ]
agm006001896
[ [ 2.891603345, 1.778509735, 0 ], [ 2.891603345, 0, 1.778509735 ], [ 0, 0, 0 ], [ 3.719605519358983, 2.6583801891726884, 0.8986392808273116 ], [ 2.0636011706410176, 0.8986392808273116, 0.8986392808273116 ], [ 3.719605519358983, 0.8986392808273116, 2.6583801891726884 ], [ 2.0636011706410176, 2.6583801891726884, 2.6583801891726884 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}]
[ "B", "B", "Bi", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.2857142857142857, 0.14285714285714285, 0.5714285714285714 ]
[ [ 0.00785627, 0, 0 ], [ 0, 0.20704485, 0 ], [ 0, 0, 0.20704485 ] ]
-48.978748
[ 0.001, 0.001, 0.068, 0.009, 0.009, 0.009, 0.009 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00055575, 0.00099761, -0.00099761 ], [ -0.00055575, -0.00099761, -0.00099761 ], [ 0.00055575, -0.00099761, 0.00099761 ], [ -0.00055575, 0.00099761, 0.00099761 ] ]
0.14881
2.303036
pbe
true
7576fc0fe07e3d529f91b9e931dc3b4a_111_Bi1B2O4
[ "B", "Bi", "Pt" ]
5
A2B2C
B2Bi2Pt
Bi2 B2 Pt1
3
[ 1, 1, 1 ]
3
[ [ 3.17220098, 0, 0 ], [ 0, 3.17220098, 0 ], [ 1.58610049, 1.58610049, 8.72636405 ] ]
agm002910711
[ [ 3.17220098, 1.58610049, 4.363182025 ], [ 1.58610049, 3.17220098, 4.363182025 ], [ 1.586100505861005, 1.586100505861005, 2.042589893974877 ], [ 3.1722009641389954, 3.1722009641389954, 6.683774156025124 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "B", "B", "Bi", "Bi", "Pt" ]
2023-11-16 06:57:59
[ 0.4, 0.4, 0.2 ]
[ [ -1.1255544, 0, 0 ], [ 0, -1.1255544, 0 ], [ 0, 0, 0.8842508 ] ]
-22.506463
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.02247529 ], [ 0, 0, -0.02247529 ], [ 0, 0, 0 ] ]
0
2.316772
pbe
true
2d4d427839258e3ebb2647a6ba06563e_139_Bi2B2Pt1
[ "B", "Br", "Co" ]
10
A2B2C
B2Br2Co
Co2 B4 Br4
3
[ 1, 1, 1 ]
3
[ [ 7.12536305, 0, 0 ], [ 0, 7.12536305, 0 ], [ 0, 0, 3.15059867 ] ]
agm002958540
[ [ 1.443090800559057, 5.0057723255590565, 1.575299335 ], [ 5.0057723255590565, 5.682272249440943, 1.575299335 ], [ 5.682272249440943, 2.119590724440943, 1.575299335 ], [ 2.119590724440943, 1.443090800559057, 1.575299335 ], [ 0, 0, 0 ], [ 3.562681525, 3.562681525, 0 ], [ 2.4394527607341643, 6.002134285734164, 0 ], [ 6.002134285734164, 4.685910289265836, 0 ], [ 4.685910289265836, 1.1232287642658354, 0 ], [ 1.1232287642658354, 2.4394527607341643, 0 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}]
[ "B", "B", "B", "B", "Co", "Co", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.4, 0.4, 0.2 ]
[ [ 2.0931802, 0, 0 ], [ 0, 2.0931802, 0 ], [ 0, 0, 3.8953676 ] ]
-30.516465
[ -0.031, -0.025, -0.032, -0.024, 1.551, 1.555, 0, 0.005, -0.001, 0.005 ]
[ [ -0.00943072, -0.00943072, 0 ], [ -0.00943072, 0.00943072, 0 ], [ 0.00943072, 0.00943072, 0 ], [ 0.00943072, -0.00943072, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.01357645, 0.01357645, 0 ], [ 0.01357645, -0.01357645, 0 ], [ -0.01357645, -0.01357645, 0 ], [ -0.01357645, 0.01357645, 0 ] ]
2.728462
5.37188
pbe
true
f96b7d6aae4f8858503e124ed991d9b3_127_Co2B4Br4
[ "B", "Br", "Nd" ]
11
A5B4C2
B2Br5Nd4
Nd4 B2 Br5
3
[ 1, 1, 1 ]
3
[ [ 3.9876798, -5e-8, -0.68769533 ], [ -0.5258854, 7.65928377, -3.04940338 ], [ -0.19576353, -0.1802157, 10.77018112 ] ]
agm005662452
[ [ 3.6376503805250224, 2.066597383660514, 9.187958342035664 ], [ 2.232439113239194, 5.021942343045834, 1.039705339623046 ], [ -0.37161951052502196, 5.412470636339486, -2.1548759320356634 ], [ 1.0335917567608064, 2.4571256769541674, 5.993377070376954 ], [ 1.4111077626291928, 3.354583179649587, 8.182454799796638 ], [ 1.8549231073708072, 4.124484840350413, -1.1493723897966373 ], [ 3.1630741427712654, 0.42253318858763567, 6.436078954710223 ], [ 2.884821136025759, 4.475162789104315, 4.822598794840965 ], [ 0.3812097339742411, 3.003905230895684, 2.2104836151590357 ], [ 0.10295672722873506, 7.056534831412365, 0.597003455289777 ], [ 1.9938399, -2.5e-8, -0.343847665 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}]
[ "Nd", "Nd", "Nd", "Nd", "B", "B", "Br", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.18181818181818182, 0.45454545454545453, 0.36363636363636365 ]
[ [ 0.37960365, -0.01732533, -0.05861551 ], [ -0.01732533, 0.25086346, -0.10046278 ], [ -0.05861551, -0.10046278, 0.0498234 ] ]
-54.597704
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00023071, -0.00336014, 0.00133778 ], [ -0.0001871, -0.00044479, -0.00108492 ], [ -0.00023071, 0.00336014, -0.00133778 ], [ 0.0001871, 0.00044479, 0.00108492 ], [ 0.00004046, 0.00009618, 0.00023459 ], [ -0.00004046, -0.00009618, -0.00023459 ], [ 0.00015589, -0.00046618, 0.00090394 ], [ 0.00005711, 0.00097253, 0.00033115 ], [ -0.00005711, -0.00097253, -0.00033115 ], [ -0.00015589, 0.00046618, -0.00090394 ], [ 0, 0, 0 ] ]
0.000008
4.426367
pbe
true
00d0f21da22de04f9305098ad69bf76d_71_Nd4B2Br5
[ "B", "Ca", "Cr" ]
8
A2BC
BCaCr2
Ca2 Cr4 B2
3
[ 1, 1, 1 ]
3
[ [ 6.02709398, 0, 0 ], [ 0, 6.02709398, 0 ], [ 3.01354699, 3.01354699, 4.24786024 ] ]
agm002795686
[ [ 3.012657451199492, 1.506773495, 1.06196506 ], [ 3.014436528800508, 4.520320485, 1.06196506 ], [ 4.520320485, 6.027983518800508, 3.1858951799999997 ], [ 7.533867474999999, 6.026204441199492, 3.1858951799999997 ], [ 0, 0, 0 ], [ 6.02709398, 3.01354699, 2.12393012 ], [ 3.01354699, 3.01354699, 0 ], [ 3.01354699, 6.02709398, 2.12393012 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}]
[ "Cr", "Cr", "Cr", "Cr", "Ca", "Ca", "B", "B" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 4.498217, 0, 0 ], [ 0, 4.498217, 0 ], [ 0, 0, 4.604253 ] ]
-47.671758
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00254398, 0, 0 ], [ -0.00254398, 0, 0 ], [ 0, -0.00254398, 0 ], [ 0, 0.00254398, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000006
3.904053
pbe
true
15fb18603e0f69e65473f782bab6cdda_227_Ca2Cr4B2