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[ "Cl", "Cu", "O", "P" ]
5
A2BCD
Cl2CuOP
Cu1 P1 Cl2 O1
4
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3
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agm001689255
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "P", "O", "Cu", "Cl", "Cl" ]
2023-11-16 06:57:59
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191f57affac58d4f8c63c05f6af84b66_123_Cu1P1Cl2O1
[ "Cl", "Cu", "Rb", "Sc" ]
15
A9B3C2D
Cl9Cu2Rb3Sc
Rb3 Sc1 Cu2 Cl9
4
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3
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agm004678234
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[ "Rb", "Rb", "Rb", "Sc", "Cu", "Cu", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]
2023-11-16 06:57:59
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1.061279
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pbe
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7119a51e8cd749d1018afc7d36c951c0_164_Rb3Sc1Cu2Cl9
[ "Cl", "F", "K", "Ni" ]
7
A3B2CD
Cl3FK2Ni
K2 Ni1 Cl3 F1
4
[ 1, 1, 1 ]
3
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agm004760017
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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]
[ "K", "K", "Ni", "Cl", "Cl", "Cl", "F" ]
2023-11-16 06:57:59
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1.928941
0
pbe
true
01ffb790d7f498ceef693b70a9de108e_71_K2Ni1Cl3F1
[ "Cl", "Ge", "O", "Zr" ]
14
A4BCD
ClGeO4Zr
Zr2 Ge2 Cl2 O8
4
[ 1, 1, 1 ]
3
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agm005046568
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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Zr", "Zr", "Ge", "Ge", "Cl", "Cl", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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0
0
pbe
true
49403223d8d3c09f42654b9a9b6c69b8_12_Zr2Ge2Cl2O8
[ "Cl", "Ge", "Pm", "Tl" ]
12
A8B2CD
Cl8Ge2PmTl
Pm1 Tl1 Ge2 Cl8
4
[ 1, 1, 1 ]
3
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agm004898586
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[ "Pm", "Tl", "Ge", "Ge", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]
2023-11-16 06:57:59
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0
pbe
true
0105fac5e37bc8368031637127809b87_2_Pm1Tl1Ge2Cl8
[ "Cl", "H", "I", "Pu" ]
6
A2B2CD
ClH2IPu2
Pu2 H2 I1 Cl1
4
[ 1, 1, 1 ]
3
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agm004744465
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[ "Pu", "Pu", "H", "H", "I", "Cl" ]
2023-11-16 06:57:59
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12.001188
17.895655
pbe
true
a830730349d33e12496db21a366a0a24_164_Pu2H2I1Cl1
[ "Cl", "Hf", "P", "Pb" ]
5
A2BCD
ClHfP2Pb
Hf1 P2 Pb1 Cl1
4
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3
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agm001757347
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[ "Pb", "P", "P", "Hf", "Cl" ]
2023-11-16 06:57:59
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pbe
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f7c3011d8fefbfa4a76ba43e84e0fb48_123_Hf1P2Pb1Cl1
[ "Cl", "In", "La", "Na" ]
10
A6B2CD
Cl6InLaNa2
Na2 La1 In1 Cl6
4
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3
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agm004962917
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[ "Na", "Na", "La", "In", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]
2023-11-16 06:57:59
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0.000001
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pbe
true
b9c79c01cd1aadc7f1330221d0b4d47c_146_Na2La1In1Cl6
[ "Cl", "K", "Li", "U" ]
12
A8B2CD
Cl8KLi2U
K1 Li2 U1 Cl8
4
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3
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agm004886004
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]
[ "K", "Li", "Li", "U", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.6666666666666666, 0.08333333333333333, 0.16666666666666666, 0.08333333333333333 ]
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-51.544729
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0.999997
-0.310882
pbe
true
431719cb0a588f28d3a3857f935d8480_10_K1Li2U1Cl8
[ "Cl", "Li", "Nd", "Te" ]
12
A6B3C2D
Cl6LiNd3Te2
Li1 Nd3 Te2 Cl6
4
[ 1, 1, 1 ]
3
[ [ 6.58724389, 0, 0.67194158 ], [ 0, 8.52562509, 0 ], [ -0.00358476, -4.26281255, 7.10050144 ] ]
agm004663042
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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "Li", "Nd", "Nd", "Nd", "Te", "Te", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.5, 0.08333333333333333, 0.25, 0.16666666666666666 ]
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-55.991289
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-0.000021
0
pbe
true
5baa6e6203f778a2e38bc8948792610e_12_Li1Nd3Te2Cl6
[ "Cl", "Mo", "O", "Te" ]
32
A4B2CD
Cl4MoOTe2
Te8 Mo4 Cl16 O4
4
[ 1, 1, 1 ]
3
[ [ 7.94035547, 0, 0 ], [ 0, 10.15245321, -0.12080152 ], [ 0, 9.85373816, 12.62081218 ] ]
agm003240496
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "Mo", "Mo", "Mo", "Mo", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "O", "O", "O", "O", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.5, 0.125, 0.125, 0.25 ]
[ [ 0.16533026, 0, 0 ], [ 0, 0.19065046, -0.02579939 ], [ 0, -0.02579938, 0.2362328 ] ]
-126.631391
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3.866293
-0.0061
pbe
true
c42dee67be92d37c7f6ffd843f44aa50_14_Te8Mo4Cl16O4
[ "Co", "Ir", "O", "Sr" ]
20
A12B4C3D
CoIr3O12Sr4
Sr4 Co1 Ir3 O12
4
[ 1, 1, 1 ]
3
[ [ 5.65388231, 0.00991413, -0.00203211 ], [ -0.00354326, 5.64118093, -0.01543066 ], [ -0.00836337, -0.06480785, 7.94617087 ] ]
agm003225318
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Sr", "Sr", "Sr", "Co", "Ir", "Ir", "Ir", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.05, 0.15, 0.6, 0.2 ]
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-130.900322
[ 0.008, 0.008, 0.008, 0.008, 2.769, 0.418, 0.922, 1.182, 0.198, 0.068, 0.082, 0.196, 0.198, 0.068, 0.082, 0.196, 0.097, 0.234, 0.097, 0.234 ]
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7.522329
9.942612
pbe
true
6259177b74b28f10ebadd0dae269bfc7_2_Sr4Co1Ir3O12
[ "Cl", "N", "O", "Pr" ]
20
A6B2CD
ClN2O6Pr
Pr2 N4 Cl2 O12
4
[ 1, 1, 1 ]
3
[ [ 6.10750071, -1.59334267, 0.29139806 ], [ -2.32908818, 5.86648566, 0.29139806 ], [ -0.79489915, -0.89898011, 8.90314307 ] ]
agm004945661
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Pr", "Pr", "N", "N", "N", "N", "Cl", "Cl", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.2, 0.6, 0.1 ]
[ [ 0.91060495, 0.14394604, 0.03542091 ], [ 0.14394604, 0.94611824, 0.04005879 ], [ 0.03542094, 0.04005882, 0.90043014 ] ]
-127.6058
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0
0
pbe
true
36ccef90a4c7cd02e1e90c70525432d9_15_Pr2N4Cl2O12
[ "Cl", "Ni", "P", "Si" ]
5
A2BCD
Cl2NiPSi
Si1 Ni1 P1 Cl2
4
[ 1, 1, 1 ]
3
[ [ 4.54529463, 0, 0 ], [ 0, 4.54529463, 0 ], [ 0, 0, 4.86157142 ] ]
agm001689917
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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Ni", "Si", "P", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ -1.3291844, 0, 0 ], [ 0, -1.3291844, 0 ], [ 0, 0, -0.9238255 ] ]
-17.367723
[ 1.053, 0.008, 0.111, 0.028, 0.028 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.458884
4.836745
pbe
true
023d921903640e85a6c653216be6a26a_123_Si1Ni1P1Cl2
[ "Co", "Cr", "F", "Ni" ]
18
A6BCD
CoCrF6Ni
Cr2 Co2 Ni2 F12
4
[ 1, 1, 1 ]
3
[ [ 4.79777973, 0, 0 ], [ 0, 4.79777973, 0 ], [ 0, 0, 9.76296652 ] ]
agm005102357
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]
[ "Cr", "Cr", "Co", "Co", "Ni", "Ni", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
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-89.001718
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5.947022
-0.000047
pbe
true
4dc79a869b3a3a6719dc8e45a51f4df8_102_Cr2Co2Ni2F12
[ "Co", "Cs", "F", "In" ]
18
A6BCD
CoCsF6In
Cs2 In2 Co2 F12
4
[ 1, 1, 1 ]
3
[ [ 7.55764836, 0, 0 ], [ 0, 7.8702438, 0 ], [ -3.77882418, -3.9351219, 5.47881558 ] ]
agm005072502
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[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "In", "In", "Co", "Co", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.1111111111111111, 0.6666666666666666, 0.1111111111111111 ]
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-84.941696
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6.000038
0
pbe
true
1eb5ba2be31b417747716859db234df3_74_Cs2In2Co2F12
[ "Co", "Cs", "H", "Li" ]
9
A6BCD
CoCsH6Li
Cs1 Li1 Co1 H6
4
[ 1, 1, 1 ]
3
[ [ 4.95183168, 0.69081099, -0.17131023 ], [ 3.0817157, 3.85501789, -0.17053958 ], [ -0.1909658, -0.11377542, 6.53568964 ] ]
agm005098647
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Li", "Co", "H", "H", "H", "H", "H", "H" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.1111111111111111, 0.6666666666666666, 0.1111111111111111 ]
[ [ 0.02811906, 0.09011622, 0.09710482 ], [ 0.09011624, -0.09849136, 0.06920662 ], [ 0.0971048, 0.06920661, 0.08887879 ] ]
-31.205948
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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-0.000002
1.287068
pbe
true
94e9851f8372b48e9cae657bc1774f98_1_Cs1Li1Co1H6
[ "Co", "Cu", "I", "Pm" ]
8
A4B2CD
CoCuI2Pm4
Pm4 Co1 Cu1 I2
4
[ 1, 1, 1 ]
3
[ [ 4.1367108, 0, 0 ], [ 0, 7.16111719, 0.13153392 ], [ 0, -2.51741258, 7.97518862 ] ]
agm004826675
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[{"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "Pm", "Pm", "Pm", "Pm", "Co", "Cu", "I", "I" ]
2023-11-16 06:57:59
[ 0.125, 0.125, 0.25, 0.5 ]
[ [ -0.3976172, 0, 0 ], [ 0, -0.48730302, 0.02954935 ], [ 0, 0.02954923, -0.69462985 ] ]
-37.752219
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00305548, -0.00220138 ], [ 0, -0.00305548, 0.00220138 ], [ 0, 0.00188624, -0.00064482 ], [ 0, -0.00188624, 0.00064482 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000003
6.104358
pbe
true
b6a2e29643de274a0f9eb186cf59ce4e_10_Pm4Co1Cu1I2
[ "Co", "Cu", "Li", "Re" ]
4
ABCD
CoCuLiRe
Co1 Cu1 Li1 Re1
4
[ 1, 1, 1 ]
3
[ [ 0, 2.859678, 2.859678 ], [ 2.859678, 0, 2.859678 ], [ 2.859678, 2.859678, 0 ] ]
oqmd-2888311
[ [ 2.8596799999999982, 2.8596799999999982, 2.8596799999999982 ], [ 4.289520000000003, 4.289520000000003, 4.289520000000003 ], [ 1.4298399999999991, 1.4298399999999991, 1.4298399999999991 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}]
[ "Co", "Cu", "Li", "Re" ]
2024-11-01 00:00:00
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 35.29561, 0, 0 ], [ 0, 35.29561, 0 ], [ 0, 0, 35.29561 ] ]
-22.5955
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.006299
null
pbe
true
30b7cdc17d771b7d6a29567dcc879a89_216_Li1Co1Cu1Re1
[ "Co", "Cu", "In", "Zn" ]
5
A2BCD
CoCuIn2Zn
Zn1 In2 Co1 Cu1
4
[ 1, 1, 1 ]
3
[ [ 5.08733195, 0, 0 ], [ 0, 4.5084209, 0 ], [ 0, 0, 5.08733195 ] ]
agm001590557
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[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Zn", "Co", "Cu", "In", "In" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ -3.3906748, 0, 0 ], [ 0, -0.7469471, 0 ], [ 0, 0, -3.3906748 ] ]
-13.388581
[ 0.006, 2.015, 0.02, 0.002, -0.015 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.983373
3.932662
pbe
true
b05bfdb9f74c3e1c1a52b9e4fa839f0a_123_Zn1In2Co1Cu1
[ "Co", "Cu", "Pm", "Sm" ]
4
ABCD
CoCuPmSm
Pm1 Sm1 Co1 Cu1
4
[ 1, 1, 1 ]
3
[ [ 3.88700215, 0, 0 ], [ 0, 4.31517244, 0 ], [ -1.94350107, 0, 5.2269361 ] ]
agm005207221
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[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Pm", "Sm", "Co", "Cu" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ -1.3476887, 0, 0 ], [ 0, -1.3019727, 0 ], [ 0, 0, -1.2882419 ] ]
-21.208222
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0.00293966 ], [ 0, 0, -0.00138034 ], [ 0, 0, -0.00213434 ], [ 0, 0, 0.00057501 ] ]
-0.000099
3.457667
pbe
true
410e1500da453c3b8659f38ee6fb6b07_38_Pm1Sm1Co1Cu1
[ "Co", "Dy", "Ga", "Ru" ]
4
ABCD
CoDyGaRu
Dy1 Ga1 Co1 Ru1
4
[ 1, 1, 1 ]
3
[ [ 4.47313805, 0, 0 ], [ 2.23656903, 3.87385119, 0 ], [ 2.23656903, 1.29128373, 3.65230193 ] ]
agm001310557
[ [ 4.473138055, 2.58256746, 1.826150965 ], [ 0, 0, 0 ], [ 6.709707082500001, 3.87385119, 2.7392264475 ], [ 2.2365690275, 1.29128373, 0.9130754825 ] ]
[{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ru", "Co", "Ga", "Dy" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 3.7688327, 0, 0 ], [ 0, 3.7688327, 0 ], [ 0, 0, 3.7688327 ] ]
-24.945025
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000092
5.185355
pbe
true
ab91f870b710ab25152dab3d32789b21_216_Dy1Ga1Co1Ru1
[ "Co", "Dy", "Er", "Rh" ]
4
ABCD
CoDyErRh
Dy1 Er1 Co1 Rh1
4
[ 1, 1, 1 ]
3
[ [ 4.76727814, 0, 0 ], [ 2.38363907, 4.12858398, 0 ], [ 2.38363907, 1.37619466, 3.8924663 ] ]
agm001402549
[ [ 4.76727814, 2.75238932, 1.94623315 ], [ 2.38363907, 1.37619466, 0.973116575 ], [ 0, 0, 0 ], [ 7.15091721, 4.12858398, 2.919349725 ] ]
[{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Co", "Dy", "Rh", "Er" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 3.8137836, 0, 0 ], [ 0, 3.8137836, 0 ], [ 0, 0, 3.8137836 ] ]
-25.713092
[ 0.663, -0.113, 0.141, -0.121 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.522545
1.955153
pbe
true
04e9f4716f5e14cea356b23ede020e46_216_Dy1Er1Co1Rh1
[ "Co", "Dy", "Pa", "Tc" ]
4
ABCD
CoDyPaTc
Dy1 Pa1 Co1 Tc1
4
[ 1, 1, 1 ]
3
[ [ 4.79365382, 0, 0 ], [ 2.39682691, 4.15142598, 0 ], [ 2.39682691, 1.38380866, 3.91400195 ] ]
agm001406175
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}]
[ "Pa", "Co", "Tc", "Dy" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.056869, 0, 0 ], [ 0, 2.056869, 0 ], [ 0, 0, 2.056869 ] ]
-32.056984
[ -0.146, 0.635, 0.087, -0.051 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.460226
2.282886
pbe
true
2075a08dd9298e6c573cb588c26af8d1_216_Dy1Pa1Co1Tc1
[ "Co", "F", "Na", "Ni" ]
20
A6B2CD
CoF6Na2Ni
Na4 Co2 Ni2 F12
4
[ 1, 1, 1 ]
3
[ [ 5.44900695, 0, -0.01253297 ], [ 0, 5.63084076, 0 ], [ 0.00428103, 0, 7.80705404 ] ]
agm004937706
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]
[ "Na", "Na", "Na", "Na", "Co", "Co", "Ni", "Ni", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.1, 0.6, 0.2, 0.1 ]
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-91.292931
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10.000021
0
pbe
true
ea9fd0b11bba3238babd0f9429e78633_14_Na4Co2Ni2F12
[ "Co", "Fe", "N", "Sr" ]
5
A2BCD
Co2FeNSr
Sr1 Fe1 Co2 N1
4
[ 1, 1, 1 ]
3
[ [ 4.65879072, 0, 0 ], [ 0, 3.60428023, 0 ], [ 0, 0, 4.65879072 ] ]
agm001485819
[ [ 2.32939536, 1.802140115, 2.32939536 ], [ 0, 0, 2.32939536 ], [ 2.32939536, 0, 0 ], [ 0, 0, 0 ], [ 0, 1.802140115, 0 ] ]
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Sr", "Co", "Co", "Fe", "N" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 1.0907401, 0, 0 ], [ 0, 5.246247, 0 ], [ 0, 0, 1.0907401 ] ]
-29.548885
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4.313351
5.002177
pbe
true
08aeec5aca5427485bbe99116f9ad100_123_Sr1Fe1Co2N1
[ "Co", "Fe", "O", "Ru" ]
10
A6B2CD
Co2FeO6Ru
Fe1 Co2 Ru1 O6
4
[ 1, 1, 1 ]
3
[ [ 4.97806915, 0.00007502, 0.00025144 ], [ 2.48908702, 4.3112683, 0.00008006 ], [ 2.4889462, 1.437244, 4.59264566 ] ]
agm004948100
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
[ "Fe", "Co", "Co", "Ru", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.1, 0.6, 0.1 ]
[ [ 1.0399432, -0.00243737, -0.00382875 ], [ -0.00243736, 1.0229269, -0.00127523 ], [ -0.0038284, -0.00127497, 1.6044385 ] ]
-63.614344
[ 1.309, 0.138, 2.704, 1.317, 0.087, 0.087, 0.087, 0.045, 0.045, 0.045 ]
[ [ -0.0002589, 0.00020595, -0.00172262 ], [ 0.00067511, 0.00035161, -0.00177615 ], [ -0.00038562, -0.00046544, 0.00061043 ], [ -0.00022646, 0.00000396, 0.00088466 ], [ -0.00256816, 0.00040619, 0.00005238 ], [ 0.00145024, 0.00207901, 0.00052781 ], [ 0.00025111, -0.00314171, 0.00017594 ], [ 0.00099812, -0.00391203, 0.00051768 ], [ -0.00321598, 0.00207664, 0.00024538 ], [ 0.00328054, 0.00239582, 0.0004845 ] ]
6.007698
3.088008
pbe
true
8c8c43c5526863e8140398868144c1f9_146_Fe1Co2Ru1O6
[ "Co", "Fe", "V", "Y" ]
5
A2BCD
CoFeV2Y
Y1 V2 Fe1 Co1
4
[ 1, 1, 1 ]
3
[ [ 4.34088662, 0, 0 ], [ 0, 4.54314496, 0 ], [ 0, 0, 4.34088662 ] ]
agm001464980
[ [ 2.17044331, 2.27157248, 2.17044331 ], [ 0, 2.27157248, 0 ], [ 0, 0, 0 ], [ 0, 0, 2.17044331 ], [ 2.17044331, 0, 0 ] ]
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Co", "Fe", "V", "V" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 6.69653, 0, 0 ], [ 0, 7.917029, 0 ], [ 0, 0, 6.69653 ] ]
-38.00523
[ 0.095, 1.29, 0.185, 0.996, 1.296 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
4.101288
4.194251
pbe
true
0b5b842cefa447dfa4caa361a67fb391_123_Y1V2Fe1Co1
[ "Co", "Ga", "I", "Te" ]
5
A2BCD
CoGaI2Te
Ga1 Co1 Te1 I2
4
[ 1, 1, 1 ]
3
[ [ 5.54676663, 0, 0 ], [ 0, 5.54676663, 0 ], [ 0, 0, 4.89125505 ] ]
agm001714356
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "I", "I", "Te", "Co", "Ga" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 1.1318631, 0, 0 ], [ 0, 1.1318631, 0 ], [ 0, 0, 1.3585508 ] ]
-15.506687
[ 0.008, 0.008, 0.135, 1.015, 0.008 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.352953
4.767645
pbe
true
533fe1da072fc77563188194730d57b7_123_Ga1Co1Te1I2
[ "Co", "Ga", "Ir", "N" ]
5
A2BCD
CoGaIr2N
Ga1 Co1 Ir2 N1
4
[ 1, 1, 1 ]
3
[ [ 3.9413141, 0, 0 ], [ 0, 4.4321369, 0 ], [ 0, 0, 3.9413141 ] ]
agm001460138
[ [ 0, 0, 1.97065705 ], [ 1.97065705, 0, 0 ], [ 1.97065705, 2.21606845, 1.97065705 ], [ 0, 2.21606845, 0 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ir", "Ir", "Co", "Ga", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ -2.5063217, 0, 0 ], [ 0, 4.841689, 0 ], [ 0, 0, -2.5063217 ] ]
-32.969091
[ 0.137, 0.149, 1.58, -0.032, -0.025 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.738668
4.90846
pbe
true
e15aa2b7ca9eb7c09c3596d5ad7a60ca_123_Ga1Co1Ir2N1
[ "Co", "Ga", "Mg", "Y" ]
5
A2BCD
CoGa2MgY
Y1 Mg1 Ga2 Co1
4
[ 1, 1, 1 ]
3
[ [ 4.56324705, 0, 0 ], [ 0, 4.56324705, 0 ], [ 0, 0, 4.63976074 ] ]
agm001671745
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Mg", "Co", "Ga", "Ga" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 2.798691, 0, 0 ], [ 0, 2.798691, 0 ], [ 0, 0, 2.4669785 ] ]
-22.555309
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000019
1.902948
pbe
true
411fb2164216d77c071533ab5ea19a02_123_Y1Mg1Ga2Co1
[ "Co", "Ga", "Ni", "Sc" ]
20
A5B2C2D
CoGa2Ni5Sc2
Sc4 Ga4 Co2 Ni10
4
[ 1, 1, 1 ]
3
[ [ 3.41126397, 0, 0 ], [ 0, 9.03159822, 0 ], [ 0, 0, 9.03159822 ] ]
agm005140050
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Sc", "Sc", "Sc", "Sc", "Ga", "Ga", "Ga", "Ga", "Co", "Co", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni" ]
2023-11-16 06:57:59
[ 0.1, 0.2, 0.5, 0.2 ]
[ [ -5.6700506, 0, 0 ], [ 0, -6.2258554, 0 ], [ 0, 0, -6.2258554 ] ]
-115.119802
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[ [ 0, 0.00059033, 0.00059033 ], [ 0, -0.00059033, -0.00059033 ], [ 0, 0.00059033, -0.00059033 ], [ 0, -0.00059033, 0.00059033 ], [ 0, -0.00239203, -0.00239203 ], [ 0, 0.00239203, 0.00239203 ], [ 0, -0.00239203, 0.00239203 ], [ 0, 0.00239203, -0.00239203 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00200731, 0.00701713 ], [ 0, -0.00200731, -0.00701713 ], [ 0, 0.00701713, -0.00200731 ], [ 0, 0.00200731, -0.00701713 ], [ 0, -0.00701713, 0.00200731 ], [ 0, -0.00200731, 0.00701713 ], [ 0, 0.00701713, 0.00200731 ], [ 0, -0.00701713, -0.00200731 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.547086
16.70547
pbe
true
6c66ecc738cc35cc41ee467c9716c77b_127_Sc4Ga4Co2Ni10
[ "Co", "Ga", "S", "V" ]
5
A2BCD
CoGa2SV
V1 Ga2 Co1 S1
4
[ 1, 1, 1 ]
3
[ [ 4.49624427, 0, 0 ], [ 0, 4.41063269, 0 ], [ 0, 0, 4.49624427 ] ]
agm001542718
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "S", "Co", "Ga", "Ga", "V" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 4.8578777, 0, 0 ], [ 0, 4.1022024, 0 ], [ 0, 0, 4.8578777 ] ]
-25.52331
[ -0.081, -0.153, -0.032, -0.022, 1.774 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.719524
2.497079
pbe
true
d8e90f3e43a527875a8aca82a6f84b18_123_V1Ga2Co1S1
[ "Co", "Ge", "Li", "Pa" ]
4
ABCD
CoGeLiPa
Li1 Pa1 Co1 Ge1
4
[ 1, 1, 1 ]
3
[ [ 4.47219178, 0, 0 ], [ 2.23609589, 3.87303169, 0 ], [ 2.23609589, 1.29101056, 3.6515293 ] ]
agm001288446
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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}]
[ "Ge", "Pa", "Co", "Li" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.0343592, 0, 0 ], [ 0, 2.0343592, 0 ], [ 0, 0, 2.0343592 ] ]
-24.218226
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000418
4.575308
pbe
true
fb83ef839d175da35c5be098a2d92e93_216_Li1Pa1Co1Ge1
[ "Co", "Ge", "Nb", "Te" ]
5
A2BCD
CoGeNb2Te
Nb2 Co1 Ge1 Te1
4
[ 1, 1, 1 ]
3
[ [ 5.09090077, 0, 0 ], [ 0, 4.44524977, 0 ], [ 0, 0, 5.09090077 ] ]
agm001448638
[ [ 0, 0, 2.545450385 ], [ 2.545450385, 0, 0 ], [ 0, 0, 0 ], [ 0, 2.222624885, 0 ], [ 2.545450385, 2.222624885, 2.545450385 ] ]
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[ "Nb", "Nb", "Te", "Co", "Ge" ]
2023-11-16 06:57:59
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0.583137
6.323644
pbe
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527f7c0306fb3132930d01826ac38ccd_123_Nb2Co1Ge1Te1
[ "Co", "Ge", "Ni", "Np" ]
10
A4B3C2D
Co3Ge4NiNp2
Np2 Co3 Ni1 Ge4
4
[ 1, 1, 1 ]
3
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agm004510573
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[ "Np", "Np", "Co", "Co", "Co", "Ni", "Ge", "Ge", "Ge", "Ge" ]
2023-11-16 06:57:59
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7.754587
21.038582
pbe
true
797c7530fa560aefc804491130cdf592_115_Np2Co3Ni1Ge4
[ "Co", "Ge", "Pd", "Th" ]
12
A6B3C2D
Co2Ge6PdTh3
Th3 Co2 Ge6 Pd1
4
[ 1, 1, 1 ]
3
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agm004663589
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[ "Th", "Th", "Th", "Co", "Co", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Pd" ]
2023-11-16 06:57:59
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1.594004
9.662421
pbe
true
f77f3a845e5016c62c04e4819cae5166_164_Th3Co2Ge6Pd1
[ "Co", "Hf", "Na", "P" ]
5
A2BCD
CoHfNaP2
Na1 Hf1 Co1 P2
4
[ 1, 1, 1 ]
3
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agm001517671
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[ "Na", "Co", "Hf", "P", "P" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
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-20.384421
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1.507557
6.76869
pbe
true
3f7ca3e07ec5a51e16ebd02152a0d915_123_Na1Hf1Co1P2
[ "Co", "Hg", "I", "Nd" ]
12
A6B3C2D
Co2HgI3Nd6
Nd6 Co2 Hg1 I3
4
[ 1, 1, 1 ]
3
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agm004620900
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[ "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Co", "Co", "Hg", "I", "I", "I" ]
2023-11-16 06:57:59
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8.001997
pbe
true
26f88a6e23440417464534f10e9b0a03_12_Nd6Co2Hg1I3
[ "Co", "I", "La", "S" ]
12
A6B3C2D
Co2I3La6S
La6 Co2 S1 I3
4
[ 1, 1, 1 ]
3
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agm004642779
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[ "La", "La", "La", "La", "La", "La", "Co", "Co", "S", "I", "I", "I" ]
2023-11-16 06:57:59
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-0.000072
8.205136
pbe
true
1780af0b2baa0793d84340962b1ebaee_12_La6Co2S1I3
[ "Co", "In", "Mg", "Na" ]
5
A2BCD
CoIn2MgNa
Na1 Mg1 In2 Co1
4
[ 1, 1, 1 ]
3
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agm001626272
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Na", "Mg", "Co", "In", "In" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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0.000429
2.598071
pbe
true
95b417babb60173067ff73064b7dfd24_123_Na1Mg1In2Co1
[ "Co", "In", "O", "Ru" ]
18
A6BCD
CoInO6Ru
In2 Co2 Ru2 O12
4
[ 1, 1, 1 ]
3
[ [ 5.27503489, 0, 0 ], [ -2.63751744, 4.56831422, 0 ], [ 0, 0, 8.58234991 ] ]
agm005076398
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
[ "In", "In", "Co", "Co", "Ru", "Ru", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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4.632309
8.205795
pbe
true
33062362f1d0033b1ba071238cfac5ef_163_In2Co2Ru2O12
[ "Co", "Ir", "S", "Th" ]
8
A4B2CD
CoIrS2Th4
Th4 Co1 Ir1 S2
4
[ 1, 1, 1 ]
3
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agm004860330
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[ "Th", "Th", "Th", "Th", "Co", "Ir", "S", "S" ]
2023-11-16 06:57:59
[ 0.125, 0.125, 0.25, 0.5 ]
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-63.304238
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-0.000011
8.224922
pbe
true
fd94631d6ec4b9e2d57418e33fa722d4_10_Th4Co1Ir1S2
[ "Co", "K", "Mg", "Re" ]
5
A2BCD
CoK2MgRe
K2 Mg1 Co1 Re1
4
[ 1, 1, 1 ]
3
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agm001600184
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[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Re", "K", "K", "Co", "Mg" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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-13.645632
[ 2.498, 0.007, 0.017, 2.228, -0.008 ]
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5.193582
18.615461
pbe
true
8909ab888c0f3dd838e6ec7ef923afec_123_K2Mg1Co1Re1
[ "Co", "K", "Nb", "Ta" ]
5
A2BCD
CoK2NbTa
K2 Ta1 Nb1 Co1
4
[ 1, 1, 1 ]
3
[ [ 5.22287819, 0, 0 ], [ 0, 4.7860054, 0 ], [ 0, 0, 5.22287819 ] ]
agm001506239
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[ "Nb", "Co", "K", "K", "Ta" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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-20.255402
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-0.00002
7.84968
pbe
true
9efaa7a6751881c7d5bfd2f8a281b114_123_K2Ta1Nb1Co1
[ "Co", "K", "O", "Te" ]
14
A4BCD
CoKO4Te
K2 Co2 Te2 O8
4
[ 1, 1, 1 ]
3
[ [ 5.76962111, 0, 0.21337113 ], [ 0, 6.40521502, 0 ], [ -2.01724439, 0, 7.16040208 ] ]
agm005049773
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "K", "K", "Co", "Co", "Te", "Te", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.14285714285714285, 0.14285714285714285, 0.5714285714285714, 0.14285714285714285 ]
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-73.281788
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7.978916
0
pbe
true
b4b6aad813ea833d127386f824462e92_11_K2Co2Te2O8
[ "Co", "La", "N", "Pa" ]
18
A5B2CD
CoLaN5Pa2
La2 Pa4 Co2 N10
4
[ 1, 1, 1 ]
3
[ [ 6.56906659, 0, 0 ], [ 0, 6.56906659, 0 ], [ -3.2845333, -3.2845333, 5.60578118 ] ]
agm005177193
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "La", "La", "Pa", "Pa", "Pa", "Pa", "Co", "Co", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N" ]
2023-11-16 06:57:59
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-167.329439
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3.903055
12.347952
pbe
true
c26c586d6773545281ddc86124e75078_140_La2Pa4Co2N10
[ "Co", "La", "O", "Sc" ]
20
A6B2CD
CoLa2O6Sc
La4 Sc2 Co2 O12
4
[ 1, 1, 1 ]
3
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agm004935357
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "La", "La", "La", "La", "Sc", "Sc", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.2, 0.6, 0.1 ]
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-158.304615
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-0.02188
0
pbe
true
84fe2109d3e4aa2424c9d0cb8b50e116_225_La4Sc2Co2O12
[ "Co", "La", "Pb", "Sn" ]
5
A2BCD
CoLaPbSn2
La1 Co1 Sn2 Pb1
4
[ 1, 1, 1 ]
3
[ [ 5.00754441, 0, 0 ], [ 0, 5.00754441, 0 ], [ 0, 0, 5.12475443 ] ]
agm001638256
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Pb", "Co", "Sn", "Sn", "La" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 4.2542443, 0, 0 ], [ 0, 4.2542443, 0 ], [ 0, 0, 4.068868 ] ]
-25.510176
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000001
2.393717
pbe
true
76900d110b455d6fe822d867285bb2fb_123_La1Co1Sn2Pb1
[ "Co", "Li", "Mn", "O" ]
24
A12B7C4D
CoLi7Mn4O12
Co1 Li7 Mn4 O12
4
[ 1, 1, 1 ]
3
[ [ 2.89992769, 0, 0 ], [ 0, 7.49889247, 3.94402247 ], [ 0, -0.41356663, 9.79344661 ] ]
mp-1175293
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Mn", "Mn", "Mn", "Mn", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2019-01-11 05:04:36
[ 0.041666666666666664, 0.2916666666666667, 0.16666666666666666, 0.5 ]
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-148.624358
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15.776
2.981805
pbe
true
2f1b441f95f04636ea39df210b2b18ac_10_Li7Mn4Co1O12
[ "Co", "Li", "Sc", "Tm" ]
4
ABCD
CoLiScTm
Li1 Tm1 Sc1 Co1
4
[ 1, 1, 1 ]
3
[ [ 4.66902542, 0, 0 ], [ 2.33451271, 4.04349462, 0 ], [ 2.33451271, 1.34783154, 3.81224329 ] ]
agm001378950
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "Sc", "Tm", "Co", "Li" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 1.7990844, 0, 0 ], [ 0, 1.7990844, 0 ], [ 0, 0, 1.7990844 ] ]
-20.333908
[ 0, 0, 0.001, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000197
2.930554
pbe
true
2f4347290add3d1a377190a6befc7952_216_Li1Tm1Sc1Co1
[ "Co", "Li", "Ti", "Zr" ]
5
A2BCD
CoLiTiZr2
Li1 Zr2 Ti1 Co1
4
[ 1, 1, 1 ]
3
[ [ 5.02224191, 0, 0 ], [ 0, 5.02224191, 0 ], [ 0, 0, 4.17877036 ] ]
agm001427008
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Li", "Co", "Zr", "Zr", "Ti" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 5.0990977, 0, 0 ], [ 0, 5.0990977, 0 ], [ 0, 0, 2.6080313 ] ]
-30.312381
[ 0.002, -0.308, 0.022, 0.022, 0.017 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.206429
4.796138
pbe
true
4413bb6dbfe4074dc5ed5fcf38dda44b_123_Li1Zr2Ti1Co1
[ "Co", "Mg", "N", "Ni" ]
5
A2BCD
Co2MgNNi
Mg1 Co2 Ni1 N1
4
[ 1, 1, 1 ]
3
[ [ 3.77773773, 0, 0 ], [ 0, 3.77773773, 0 ], [ 0, 0, 3.84174367 ] ]
agm001637309
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[ "Ni", "Mg", "Co", "Co", "N" ]
2023-11-16 06:57:59
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2.213346
5.216271
pbe
true
045091fbeccb2e4e9e356fe12df1940e_123_Mg1Co2Ni1N1
[ "Co", "Mg", "O", "Zn" ]
27
A16B6C4D
Co6MgO16Zn4
Mg1 Zn4 Co6 O16
4
[ 1, 1, 1 ]
3
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agm005220194
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Mg", "Zn", "Zn", "Zn", "Zn", "Co", "Co", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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-146.341868
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3.922545
0.37222
pbe
true
3de43c797d3e1ad44f5da4f3c8f8dd3f_1_Mg1Zn4Co6O16
[ "Co", "Mg", "Re", "Ta" ]
5
A2BCD
Co2MgReTa
Mg1 Ta1 Co2 Re1
4
[ 1, 1, 1 ]
3
[ [ 4.08469437, 0, 0 ], [ 0, 4.72987012, 0 ], [ 0, 0, 4.08469437 ] ]
agm001570054
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"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"]}]
[ "Re", "Mg", "Co", "Co", "Ta" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
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-31.434177
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1.811926
4.391283
pbe
true
e9747b5306eaf3fc2a8926829c580c80_123_Mg1Ta1Co2Re1
[ "Co", "N", "Nb", "Te" ]
5
A2BCD
Co2NNbTe
Nb1 Co2 Te1 N1
4
[ 1, 1, 1 ]
3
[ [ 3.82916806, 0, 0 ], [ 0, 4.87786828, 0 ], [ 0, 0, 3.82916806 ] ]
agm001504320
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[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Nb", "Te", "Co", "Co", "N" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
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-33.38668
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2.56941
4.396856
pbe
true
f09e86b213442056cad12c2c1df2e20f_123_Nb1Co2Te1N1
[ "Co", "N", "Nb", "V" ]
5
A2BCD
CoNNbV2
Nb1 V2 Co1 N1
4
[ 1, 1, 1 ]
3
[ [ 3.8489765, 0, 0 ], [ 0, 3.8489765, 0 ], [ 0, 0, 4.26965344 ] ]
agm001668474
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[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Nb", "N", "Co", "V", "V" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
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-45.93281
[ -0.015, -0.002, 0.192, 0.047, 0.047 ]
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0.272113
5.494961
pbe
true
14bd9a83cdd8d04ff7a7841955b7acf4_123_Nb1V2Co1N1
[ "Co", "N", "Os", "V" ]
5
A2BCD
CoNOsV2
V2 Co1 Os1 N1
4
[ 1, 1, 1 ]
3
[ [ 3.92131549, 0, 0 ], [ 0, 3.92131549, 0 ], [ 0, 0, 3.70885722 ] ]
agm001638214
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[{"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": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Co", "N", "Os", "V", "V" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 1.4654922, 0, 0 ], [ 0, 1.4654922, 0 ], [ 0, 0, 0.81910366 ] ]
-46.815112
[ 0.003, 0, 0, 0, 0 ]
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0.002623
2.980095
pbe
true
430e7c9788529c68124da04af159502d_123_V2Co1Os1N1
[ "Co", "Na", "O", "Pd" ]
15
A8B3C3D
CoNa3O8Pd3
Na3 Co1 Pd3 O8
4
[ 1, 1, 1 ]
3
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agm004683340
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "Na", "Na", "Na", "Co", "Pd", "Pd", "Pd", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.06666666666666667, 0.2, 0.5333333333333333, 0.2 ]
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-77.18305
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1.045526
5.081755
pbe
true
3c1247b9cf65016ede59e1844e757782_12_Na3Co1Pd3O8
[ "Co", "Na", "Pa", "S" ]
14
A4BCD
CoNaPaS4
Na2 Pa2 Co2 S8
4
[ 1, 1, 1 ]
3
[ [ 6.57290607, 0, 0.02826254 ], [ 0, 5.6521908, 0 ], [ -2.53097388, 0, 7.86794475 ] ]
agm005054165
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}]
[ "Na", "Na", "Pa", "Pa", "Co", "Co", "S", "S", "S", "S", "S", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.14285714285714285, 0.14285714285714285, 0.14285714285714285, 0.5714285714285714 ]
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-84.041818
[ 0.003, 0.003, -0.034, -0.034, 1.434, 1.434, 0.023, 0.023, 0.023, 0.023, 0.085, 0.085, 0.058, 0.058 ]
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3.594185
6.027307
pbe
true
df332dbaf106a0aae3f52b8a9220f94a_11_Na2Pa2Co2S8
[ "Co", "Na", "Sn", "Zr" ]
5
A2BCD
CoNa2SnZr
Na2 Zr1 Co1 Sn1
4
[ 1, 1, 1 ]
3
[ [ 5.89067753, 0, 0 ], [ 0, 4.33819964, 0 ], [ 0, 0, 5.89067753 ] ]
agm001516436
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"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"]}]
[ "Na", "Na", "Co", "Sn", "Zr" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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-17.053641
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-0
3.413055
pbe
true
9bd45f9d66f837bcaf55e88aa7314a24_123_Na2Zr1Co1Sn1
[ "Co", "Na", "Te", "Y" ]
5
A2BCD
CoNa2TeY
Na2 Y1 Co1 Te1
4
[ 1, 1, 1 ]
3
[ [ 6.11608765, 0, 0 ], [ 0, 4.47714682, 0 ], [ 0, 0, 6.11608765 ] ]
agm001516437
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[ "Y", "Na", "Na", "Te", "Co" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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2.198771
pbe
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4e0ec772269fd39acc41f58756c51067_123_Na2Y1Co1Te1
[ "Co", "Ni", "O", "Rb" ]
16
A4B2CD
CoNiO4Rb2
Rb4 Co2 Ni2 O8
4
[ 1, 1, 1 ]
3
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agm004768068
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[ "Rb", "Rb", "Rb", "Rb", "Co", "Co", "Ni", "Ni", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.125, 0.125, 0.5, 0.25 ]
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13.949582
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pbe
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7af8605f050ede3d86c3d274ed42040e_70_Rb4Co2Ni2O8
[ "Co", "Ni", "Sb", "Ta" ]
12
A7B2C2D
CoNi7Sb2Ta2
Ta2 Co1 Ni7 Sb2
4
[ 1, 1, 1 ]
3
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agm004593213
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[ "Ta", "Ta", "Co", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Sb", "Sb" ]
2023-11-16 06:57:59
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2.236938
11.26358
pbe
true
32b63cf2a51804797c26116543d5b53f_139_Ta2Co1Ni7Sb2
[ "Co", "Ni", "Sm", "Zn" ]
18
A12B3C2D
CoNi12Sm2Zn3
Sm2 Zn3 Co1 Ni12
4
[ 1, 1, 1 ]
3
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agm004501884
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[ "Sm", "Sm", "Zn", "Zn", "Zn", "Co", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni" ]
2023-11-16 06:57:59
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3.817558
20.01249
pbe
true
0bf8d1f35c1457de63d65d7019db1d81_166_Sm2Zn3Co1Ni12
[ "Co", "Ni", "Sn", "Zn" ]
5
A2BCD
CoNiSnZn2
Zn2 Co1 Ni1 Sn1
4
[ 1, 1, 1 ]
3
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agm001474621
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[ "Ni", "Zn", "Zn", "Co", "Sn" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
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1.836455
3.91797
pbe
true
d427ff4689d4009e468815d78e126745_123_Zn2Co1Ni1Sn1
[ "Co", "O", "P", "Sn" ]
24
A16B4C3D
CoO16P4Sn3
Co1 Sn3 P4 O16
4
[ 1, 1, 1 ]
3
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agm003231024
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2023-11-16 06:57:59
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2.999513
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pbe
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a1160f1ee86e06b06a1734258228d497_6_Co1Sn3P4O16
[ "Co", "O", "Pb", "Tc" ]
12
A8B2CD
CoO8PbTc2
Co1 Tc2 Pb1 O8
4
[ 1, 1, 1 ]
3
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agm004880518
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[ "Co", "Tc", "Tc", "Pb", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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0.976337
6.578105
pbe
true
df0caf4af228780a472816c727aaaec3_12_Co1Tc2Pb1O8
[ "Co", "O", "Pt", "Te" ]
5
A2BCD
Co2OPtTe
Co2 Te1 Pt1 O1
4
[ 1, 1, 1 ]
3
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agm001485826
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Te", "Co", "Co", "O", "Pt" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ -1.8493019, 0, 0 ], [ 0, 8.525737, 0 ], [ 0, 0, -1.8493019 ] ]
-22.19284
[ 0.009, 2.524, 2.261, 0.17, 0.266 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
5.347758
3.678307
pbe
true
15c95d38c3def81cabbeb4f4e41f1033_123_Co2Te1Pt1O1
[ "Co", "O", "Sb", "V" ]
18
A6BCD
CoO6SbV
V2 Co2 Sb2 O12
4
[ 1, 1, 1 ]
3
[ [ 5.1058758, 0, 0 ], [ -2.5529379, 4.42181815, 0 ], [ 0, 0, 9.00237627 ] ]
agm005081846
[ [ -2.5529379153574698e-8, 2.9478787814060605, 2.2505940675 ], [ 2.552937925529379, 1.4739393685939395, 6.751782202499999 ], [ 0, 0, 0 ], [ 0, 0, 4.501188135 ], [ 2.552937925529379, 1.4739393685939395, 2.2505940675 ], [ -2.5529379153574698e-8, 2.9478787814060605, 6.751782202499999 ], [ 1.5925056083948277, 2.886459329338927, 1.1937630760675189 ], [ -0.849441095346699, 1.5994337514000074, 1.1937630760675189 ], [ 1.8098733614224918, 0.064083730157053, 5.694951211067519 ], [ 3.402378995346699, 2.8223843985999926, 7.80861319393248 ], [ 0.8494410442879409, 1.5994337514000074, 3.3074250589324805 ], [ -1.592505659453586, 2.886459329338927, 3.3074250589324805 ], [ 3.2960024896362654, 0.064083730157053, 7.80861319393248 ], [ 0.7430645385775076, 4.357734419842947, 3.3074250589324805 ], [ 4.145443559453586, 1.535358820661073, 5.694951211067519 ], [ -0.7430645896362662, 4.357734419842947, 1.1937630760675189 ], [ 1.7034968557120587, 2.8223843985999926, 5.694951211067519 ], [ 0.9604322916051719, 1.535358820661073, 7.80861319393248 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "V", "V", "Co", "Co", "Sb", "Sb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.6666666666666666, 0.1111111111111111, 0.1111111111111111 ]
[ [ 1.1324475, 0, 0 ], [ 0, 1.1324475, 0 ], [ 0, 0, 1.2971685 ] ]
-118.368044
[ 0.05, 0.05, 2.751, 2.751, 0.004, 0.004, 0.028, 0.028, 0.028, 0.028, 0.028, 0.028, 0.028, 0.028, 0.028, 0.028, 0.028, 0.028 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00085297, 0.00020267, 0.00319219 ], [ -0.00025096, -0.00084003, 0.00319219 ], [ -0.000602, -0.00063736, 0.00319219 ], [ 0.00025096, 0.00084003, -0.00319219 ], [ 0.00025096, -0.00084003, -0.00319219 ], [ -0.00085297, 0.00020267, -0.00319219 ], [ 0.000602, -0.00063736, -0.00319219 ], [ 0.000602, 0.00063736, -0.00319219 ], [ 0.00085297, -0.00020267, 0.00319219 ], [ -0.000602, 0.00063736, 0.00319219 ], [ -0.00025096, 0.00084003, 0.00319219 ], [ -0.00085297, -0.00020267, -0.00319219 ] ]
6.051097
-0.001656
pbe
true
ad87d0ad34d4841db45576fdbad342d3_163_V2Co2Sb2O12
[ "Co", "P", "Pd", "Sr" ]
8
ABCD
CoPPdSr
Sr2 Co2 P2 Pd2
4
[ 1, 1, 1 ]
3
[ [ 3.81808016, 0, 0 ], [ 0, 3.81808016, 0 ], [ 0, 0, 10.60679065 ] ]
agm005216473
[ [ 2.86356012, 2.86356012, 2.821435587642194 ], [ 0.95452004, 0.95452004, 7.785355062357806 ], [ 2.86356012, 0.95452004, 0 ], [ 0.95452004, 2.86356012, 0 ], [ 2.86356012, 2.86356012, 9.463386573022987 ], [ 0.95452004, 0.95452004, 1.1434040769770126 ], [ 0.95452004, 2.86356012, 5.303395325 ], [ 2.86356012, 0.95452004, 5.303395325 ] ]
[{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Sr", "Sr", "Co", "Co", "P", "P", "Pd", "Pd" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 3.069154, 0, 0 ], [ 0, 3.069154, 0 ], [ 0, 0, 2.8233507 ] ]
-44.092598
[ 0.008, 0.008, 0.46, 0.46, 0.007, 0.007, 0.006, 0.006 ]
[ [ 0, 0, -0.00874561 ], [ 0, 0, 0.00874561 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00569682 ], [ 0, 0, 0.00569682 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.019006
6.258863
pbe
true
2f52ad0bf5086cb3f5ccef3818f1238d_129_Sr2Co2P2Pd2
[ "Co", "Re", "Ru", "Zn" ]
4
ABCD
CoReRuZn
Zn1 Co1 Re1 Ru1
4
[ 1, 1, 1 ]
3
[ [ 4.24453261, 0, 0 ], [ 2.1222663, 3.67587307, 0 ], [ 2.1222663, 1.22529102, 3.46564636 ] ]
agm001911856
[ [ 4.244532605, 2.450582045, 1.73282318 ], [ 0, 0, 0 ], [ 6.3667989075, 3.6758730675000004, 2.59923477 ], [ 2.1222663025, 1.2252910225, 0.86641159 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Re", "Zn", "Co", "Ru" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 6.4037366, 0, 0 ], [ 0, 6.4037366, 0 ], [ 0, 0, 6.4037366 ] ]
-29.588044
[ 0.432, -0.022, 1.468, 0.045 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.902683
1.613379
pbe
true
01ba8de4998b2c4282fffa57c0ffd4fc_216_Zn1Co1Re1Ru1
[ "Co", "Se", "Tl", "U" ]
15
A8B3C3D
CoSe8Tl3U3
U3 Tl3 Co1 Se8
4
[ 1, 1, 1 ]
3
[ [ 7.96982206, 0, 0 ], [ -3.98491103, 6.90101953, -0.02893325 ], [ 0, -4.5665759, 8.05148755 ] ]
agm004690546
[ [ 3.98491103, -2.28328795, 4.025743775 ], [ 1.992455515, 1.167221815, 4.01127715 ], [ -1.992455515, 1.167221815, 4.01127715 ], [ 0, 0, 0 ], [ -1.992455515, 3.450509765, -0.014466625 ], [ 1.992455515, 3.450509765, -0.014466625 ], [ 0, -2.28328795, 4.025743775 ], [ -3.984911030339661e-8, 2.3104478784488856, 2.3121133011081443 ], [ 3.9849110698491113, 0.023995751551114636, 5.710440998891855 ], [ 3.984907045088971, 2.4315294109904433, 2.4624278096317846 ], [ 0.000003984911029790597, -0.09708578099044328, 5.560126490368215 ], [ 6.076237128943977, -1.1959005607596243, 2.474198589923676 ], [ -2.091326098943977, 3.530344190759624, 5.548355710076323 ], [ 1.8935849310560229, -1.1959005607596243, 2.474198589923676 ], [ 2.091326098943978, 3.530344190759624, 5.548355710076323 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]
[ "U", "U", "U", "Tl", "Tl", "Tl", "Co", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.06666666666666667, 0.5333333333333333, 0.2, 0.2 ]
[ [ 1.9798518, 0, 0 ], [ 0, 1.9792844, -0.00022611 ], [ 0, -0.00022611, 1.9011941 ] ]
-87.308825
[ 2.13, 2.13, 2.13, -0.004, -0.004, -0.004, 1.697, -0.056, -0.056, -0.047, -0.047, -0.047, -0.047, -0.047, -0.047 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00000968, -0.00228041 ], [ 0, 0.00000968, 0.00228041 ], [ 0, -0.00009349, 0.00212733 ], [ 0, 0.00009349, -0.00212733 ], [ -0.0000888, 0.00006029, 0.00212669 ], [ 0.0000888, -0.00006029, -0.00212669 ], [ 0.0000888, 0.00006029, 0.00212669 ], [ -0.0000888, -0.00006029, -0.00212669 ] ]
8.249352
19.06755
pbe
true
e6a42555cbb2e467f0de7964e2a651ce_166_U3Tl3Co1Se8
[ "Cr", "Cs", "Ga", "I" ]
10
A6B2CD
CrCs2GaI6
Cs2 Cr1 Ga1 I6
4
[ 1, 1, 1 ]
3
[ [ 8.38594644, 0, 0 ], [ 0, 8.38594644, 0 ], [ 4.19297322, 4.19297322, 5.93128154 ] ]
agm004477526
[ [ 8.38594644, 4.19297322, 2.96564077 ], [ 4.19297322, 8.38594644, 2.96564077 ], [ 4.192973178070267, 4.192973178070267, 2.7812788052049955 ], [ 8.38594648192973, 8.38594648192973, 3.1500027347950046 ], [ 2.226773189675772, 2.226773189675772, 0 ], [ 6.159173250324228, 6.159173250324228, 0 ], [ 6.159173250324228, 2.226773189675772, 0 ], [ 2.226773189675772, 6.159173250324228, 0 ], [ 0, 0, 0 ], [ 4.19297322, 4.19297322, 0 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "I", "I", "I", "I", "I", "I", "Ga", "Cr" ]
2023-11-16 06:57:59
[ 0.1, 0.2, 0.1, 0.6 ]
[ [ 0.8500269, 0, 0 ], [ 0, 0.8500269, 0 ], [ 0, 0, 0.7470856 ] ]
-32.180256
[ 0.001, 0.001, -0.042, -0.042, -0.041, -0.041, -0.041, -0.041, -0.055, 3.09 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.02831173 ], [ 0, 0, 0.02831173 ], [ 0.02095645, 0.02095645, 0 ], [ -0.02095645, -0.02095645, 0 ], [ -0.02095645, 0.02095645, 0 ], [ 0.02095645, -0.02095645, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.000001
0
pbe
true
62d706a6359e63e18ab3745672f31961_225_Cs2Cr1Ga1I6
[ "Cr", "Cs", "Na", "Se" ]
16
A4B2CD
CrCs2NaSe4
Cs4 Na2 Cr2 Se8
4
[ 1, 1, 1 ]
3
[ [ 6.62247053, 0, 0 ], [ 3.31123527, 7.13384763, 0 ], [ 3.31123527, 0, 12.7221647 ] ]
agm004769553
[ [ 3.3112352682059, 0, 8.157197307902706 ], [ 9.9337058017941, 7.13384763, 4.564967392097294 ], [ 8.2780881692941, 3.566923815, 10.926049742097295 ], [ 8.278088165705901, 3.566923815, 1.7961149579027063 ], [ 8.2780881675, 3.566923815, 6.36108235 ], [ 0, 0, 0 ], [ 4.9668529024999994, 3.566923815, 6.36108235 ], [ 3.311235265, 0, 0 ], [ 5.3571205208431385, 5.7881599180545775, 1.342378572212265 ], [ 5.357120521674331, 1.3456877119454222, 11.379786127787735 ], [ 11.199055817270521, 5.7881599180545775, 11.379786127787735 ], [ 4.5765852802120115, 1.3456877119454222, 1.342378572212265 ], [ 6.232202916656862, 4.9126115269454225, 5.018703777787735 ], [ 6.232202915825669, 2.2212361030545775, 7.703460922212265 ], [ 10.323973420229482, 4.9126115269454225, 7.703460922212265 ], [ 3.7015028872879885, 2.2212361030545775, 5.018703777787735 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "Cs", "Cs", "Na", "Na", "Cr", "Cr", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.125, 0.25, 0.125, 0.5 ]
[ [ 0.4328039, 0, 0 ], [ 0, 0.4003302, 0 ], [ 0, 0, 0.3022212 ] ]
-66.539164
[ 0.001, 0.001, 0.001, 0.001, 0.002, 0.002, 1.208, 1.208, -0.054, -0.054, -0.054, -0.054, -0.054, -0.054, -0.054, -0.054 ]
[ [ 0, 0, 0.00103585 ], [ 0, 0, -0.00103585 ], [ 0, 0, -0.00103585 ], [ 0, 0, 0.00103585 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00253344, -0.00024136, 0.00239532 ], [ 0.00253344, 0.00024136, -0.00239532 ], [ -0.00253344, -0.00024136, -0.00239532 ], [ -0.00253344, 0.00024136, 0.00239532 ], [ -0.00253344, 0.00024136, -0.00239532 ], [ -0.00253344, -0.00024136, 0.00239532 ], [ 0.00253344, 0.00024136, 0.00239532 ], [ 0.00253344, -0.00024136, -0.00239532 ] ]
1.999991
9.038283
pbe
true
f2f4961ab79f84dc2ff65915b78539d1_70_Cs4Na2Cr2Se8
[ "Cr", "Cu", "La", "P" ]
5
A2BCD
CrCuLa2P
La2 Cr1 Cu1 P1
4
[ 1, 1, 1 ]
3
[ [ 5.66329799, 0, 0 ], [ 0, 4.19968801, 0 ], [ 0, 0, 5.66329799 ] ]
agm001572228
[ [ 2.831648995, 2.099844005, 2.831648995 ], [ 0, 0, 0 ], [ 0, 2.099844005, 0 ], [ 0, 0, 2.831648995 ], [ 2.831648995, 0, 0 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Cr", "P", "Cu", "La", "La" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ -0.48836982, 0, 0 ], [ 0, -0.0756696, 0 ], [ 0, 0, -0.48836982 ] ]
-27.425706
[ 0.012, 0.028, 0.015, -0.036, -0.061 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.20801
6.003362
pbe
true
ec9242617d560d638ebe33e1cf4638ec_123_La2Cr1Cu1P1
[ "Cr", "Cu", "Hf", "Ti" ]
4
ABCD
CrCuHfTi
Hf1 Ti1 Cr1 Cu1
4
[ 1, 1, 1 ]
3
[ [ 4.42816544, 0, 0 ], [ 2.21408272, 3.83490376, 0 ], [ 2.21408272, 1.27830125, 3.61558194 ] ]
agm001292234
[ [ 4.42816544, 2.556602505, 1.80779097 ], [ 6.64224816, 3.8349037575000002, 2.711686455 ], [ 0, 0, 0 ], [ 2.21408272, 1.2783012525, 0.903895485 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Cr", "Hf", "Cu", "Ti" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ -1.1693543, 0, 0 ], [ 0, -1.1693543, 0 ], [ 0, 0, -1.1693543 ] ]
-31.466074
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000139
2.945485
pbe
true
42facd57effef32ffc751aabf8d0abc7_216_Hf1Ti1Cr1Cu1
[ "Cr", "Cu", "Nb", "S" ]
28
A8B3C2D
Cr3Cu2NbS8
Cr6 Cu4 Nb2 S16
4
[ 1, 1, 1 ]
3
[ [ 6.34428096, -0.04458216, 0.5490105 ], [ -0.10354762, 7.23313177, 1.10480073 ], [ -0.03734271, -0.08163761, 12.17476079 ] ]
mp-1239235
[ [ 5.406112448330346, 2.081108577918868, 4.466365890371571 ], [ 3.9252539109426414, 3.139962611664886, 9.356170159748578 ], [ 0.8706953242333726, 5.006060556513663, 9.468757104884888 ], [ 1.4307976280152175, 6.264242554569374, 13.258729542625597 ], [ 4.786201513316404, 0.810044167608997, 0.5488124102318739 ], [ 2.2557180327433493, 4.0130120866362615, 4.384658505524584 ], [ 2.3036100902811354, 0.26832333486161336, 3.823067000698487 ], [ 3.788819333287034, 6.769649278172863, 9.979791665985408 ], [ 0.7966704269386908, 1.3654073347794686, 8.914298818462557 ], [ 5.463027458881381, 5.744314212926682, 4.9264044684480925 ], [ 1.5080435197692355, 2.6192408622167904, 12.689663478386885 ], [ 4.690372217670649, 4.535724123180711, 1.1460559638753518 ], [ 0.5373163053247597, 4.686447388738741, 11.66002527604827 ], [ 5.619194348526732, 2.457120744700147, 2.2018309862636367 ], [ 0.5711885372284163, 0.986344114397304, 11.15947912214644 ], [ 5.645550255579806, 6.122557410159412, 2.664987963068239 ], [ 1.116428484390279, 5.607420637665176, 5.448762355109015 ], [ 5.122016693178233, 1.4369662680323187, 8.32571655312393 ], [ 1.2153223035622764, 2.015253644585016, 4.919184929410942 ], [ 5.120743312274058, 5.136028608608069, 8.951825333016814 ], [ 1.8256956963723918, 6.948588742757513, 8.939775865085576 ], [ 4.31603083822631, 0.09309860929338389, 4.945007719742372 ], [ 1.8436203387868944, 3.2955572922295504, 8.299700397904505 ], [ 4.265666736389581, 3.8544996274825523, 5.486654392498049 ], [ 2.5552889740889846, 0.6534608422336352, 1.5930188960298624 ], [ 3.651141096092828, 6.456234049840779, 12.226565479649748 ], [ 2.4199122871669934, 4.324288653744333, 2.1659649475196217 ], [ 3.79703064495919, 2.805811664927711, 11.648733048649014 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}]
[ "Nb", "Nb", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cu", "Cu", "Cu", "Cu", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S" ]
2019-04-22 18:37:47
[ 0.21428571428571427, 0.14285714285714285, 0.07142857142857142, 0.5714285714285714 ]
[ [ -5.95439841, 0.52603945, 0.38387547 ], [ 0.52603943, -5.79099628, 0.96761298 ], [ 0.38387533, 0.96761277, -7.84891313 ] ]
-173.696262
[ 0.509, 0.492, 2.772, 2.902, 2.918, 2.766, 2.929, 2.936, -0.047, -0.053, -0.17, -0.162, -0.156, -0.046, -0.122, -0.136, -0.139, -0.046, -0.084, -0.074, -0.155, -0.057, -0.048, -0.05, -0.139, -0.15, -0.15, -0.047 ]
[ [ -0.05323039, -0.0075632, 0.00567886 ], [ 0.03374968, -0.02831582, -0.00035866 ], [ -0.0093017, 0.11003837, 0.13016581 ], [ -0.07896185, 0.0016414, 0.14373061 ], [ 0.01821209, -0.11330074, 0.00391345 ], [ -0.00637129, -0.00533127, -0.14995806 ], [ -0.0113678, 0.01667514, -0.04357476 ], [ -0.04264539, -0.07880102, 0.00221 ], [ -0.02846876, 0.01507192, 0.15635748 ], [ 0.09581612, 0.04672287, -0.13361806 ], [ 0.00735497, 0.05613416, -0.02805471 ], [ -0.04782598, 0.08794012, 0.01295594 ], [ 0.00332502, -0.08039029, -0.09391682 ], [ -0.04457349, -0.03122839, 0.07702797 ], [ -0.05716463, 0.04798641, 0.12212076 ], [ -0.00249533, 0.05956157, -0.03546631 ], [ 0.00586901, 0.04826464, -0.15084128 ], [ -0.10181103, -0.05872118, 0.15205362 ], [ -0.04418989, -0.00507966, -0.14470972 ], [ 0.03968619, -0.01772062, 0.24484139 ], [ 0.00681725, -0.13194415, 0.15058915 ], [ 0.04213744, 0.0379606, -0.18386344 ], [ 0.04014362, 0.02052819, 0.15565251 ], [ 0.10405952, -0.01257699, -0.17931923 ], [ 0.09949795, 0.00853097, -0.03384175 ], [ -0.01964299, -0.0104341, -0.0356784 ], [ 0.05100662, 0.01802958, -0.09544249 ], [ 0.00037504, 0.00632149, -0.04865384 ] ]
16.193
4.048198
pbe
true
03be4771931cbc505182032ab8ae4090_1_Nb2Cr6Cu4S16
[ "Cr", "Cu", "Rb", "Ta" ]
5
A2BCD
CrCuRbTa2
Rb1 Ta2 Cr1 Cu1
4
[ 1, 1, 1 ]
3
[ [ 4.8306892, 0, 0 ], [ 0, 4.48104871, 0 ], [ 0, 0, 4.8306892 ] ]
agm001464246
[ [ 2.4153446, 2.240524355, 2.4153446 ], [ 0, 2.240524355, 0 ], [ 0, 0, 0 ], [ 0, 0, 2.4153446 ], [ 2.4153446, 0, 0 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
[ "Cr", "Cu", "Rb", "Ta", "Ta" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ -1.7457756, 0, 0 ], [ 0, 1.2281551, 0 ], [ 0, 0, -1.7457756 ] ]
-21.531521
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000034
7.522948
pbe
true
3968bc37281284758f071ac90cd6ec88_123_Rb1Ta2Cr1Cu1
[ "Cr", "F", "O", "Ru" ]
5
A2BCD
CrFO2Ru
Cr1 Ru1 O2 F1
4
[ 1, 1, 1 ]
3
[ [ 3.82089622, 0, 0 ], [ 0, 3.82089622, 0 ], [ 0, 0, 4.46037419 ] ]
agm001741370
[ [ 0, 0, 0 ], [ 0, 0, 2.230187095 ], [ 0, 1.91044811, 0 ], [ 1.91044811, 0, 0 ], [ 1.91044811, 1.91044811, 2.230187095 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}]
[ "Ru", "F", "O", "O", "Cr" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 1.8087634, 0, 0 ], [ 0, 1.8087634, 0 ], [ 0, 0, 1.4063804 ] ]
-32.429004
[ 0.754, 0.028, 0.114, 0.114, 4.495 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
5.899344
3.609646
pbe
true
0fd0aba6bbb6bfb1119001fb5c1c6d8a_123_Cr1Ru1O2F1
[ "Cr", "Fe", "Mn", "Os" ]
4
ABCD
CrFeMnOs
Mn1 Cr1 Fe1 Os1
4
[ 1, 1, 1 ]
3
[ [ 4.12510765, 0, 0 ], [ 2.06255382, 3.57244802, 0 ], [ 2.06255382, 1.19081601, 3.36813629 ] ]
agm001403249
[ [ 4.125107645, 2.381632015, 1.684068145 ], [ 0, 0, 0 ], [ 6.187661467500001, 3.5724480225, 2.5261022175 ], [ 2.0625538225, 1.1908160075, 0.8420340725 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
[ "Cr", "Mn", "Os", "Fe" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 9.9704, 0, 0 ], [ 0, 9.9704, 0 ], [ 0, 0, 9.9704 ] ]
-38.06529
[ 0.501, 2.357, -0.143, 1.896 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
4.633385
3.021114
pbe
true
93881c53b9fcfaf4db919276926ee538_216_Mn1Cr1Fe1Os1
[ "Cr", "Fe", "S", "Se" ]
7
A3B2CD
Cr2FeS3Se
Cr2 Fe1 Se1 S3
4
[ 1, 1, 1 ]
3
[ [ 1.6851626, 6.17273027, -0.00967119 ], [ -1.6851626, 6.17273027, -0.00967119 ], [ 0, 2.64736832, 5.20872343 ] ]
agm005487314
[ [ 9.07544612269362e-17, 9.993421712349171, 1.624994144352898 ], [ -1.375818860330469e-17, 5.090805345043192, 3.5420347378776595 ], [ 6.924359175684457e-18, 12.22122956753168, -0.0168543371245641 ], [ -4.568891817120857e-17, 7.911905843655636, 0.11483015963390791 ], [ 4.404473307789658e-17, 7.0328788289925575, 5.104664552588198 ], [ -7.396555266359428e-17, 12.18180582743451, 2.2554902289819228 ], [ -2.221680986494334e-18, 2.8919097195591577, 2.9236361077114026 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]
[ "Cr", "Cr", "Fe", "Se", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.2857142857142857, 0.14285714285714285, 0.42857142857142855, 0.14285714285714285 ]
[ [ 4.0601177, 0, 0 ], [ 0, 4.265742, 0.08550829 ], [ 0, 0.0855085, 4.139376 ] ]
-47.474936
[ -2.059, 2.269, 1.837, -0.021, 0.013, -0.023, 0.025 ]
[ [ 0, 0.00392154, -0.00352073 ], [ 0, -0.00192054, 0.00481695 ], [ 0, -0.00676265, -0.0013353 ], [ 0, -0.00302825, 0.00038409 ], [ 0, -0.00091569, 0.0013305 ], [ 0, 0.00426276, -0.00042502 ], [ 0, 0.00444283, -0.00125049 ] ]
2.085692
3.719466
pbe
true
7269358d6ebedb74da7862945037ff83_8_Cr2Fe1Se1S3
[ "Cr", "Ge", "Pb", "Rb" ]
5
A2BCD
CrGePb2Rb
Rb1 Cr1 Ge1 Pb2
4
[ 1, 1, 1 ]
3
[ [ 6.08837348, 0, 0 ], [ 0, 5.40248213, 0 ], [ 0, 0, 6.08837348 ] ]
agm001489537
[ [ 0, 0, 3.04418674 ], [ 3.04418674, 0, 0 ], [ 0, 2.701241065, 0 ], [ 3.04418674, 2.701241065, 3.04418674 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "Pb", "Pb", "Cr", "Ge", "Rb" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 2.4774802, 0, 0 ], [ 0, 2.3349679, 0 ], [ 0, 0, 2.4774802 ] ]
-14.187913
[ -0.029, -0.099, 4.296, 0.065, 0.064 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
4.994783
3.283319
pbe
true
0e7ffe0042c8198e1e0adc6bd2a0efa8_123_Rb1Cr1Ge1Pb2
[ "Cr", "H", "Ir", "Rb" ]
5
A2BCD
CrH2IrRb
Rb1 Cr1 Ir1 H2
4
[ 1, 1, 1 ]
3
[ [ 4.22691179, 0, 0 ], [ 0, 4.70238952, 0 ], [ 0, 0, 4.22691179 ] ]
agm001589988
[ [ 0, 2.35119476, 0 ], [ 0, 0, 0 ], [ 2.113455895, 2.35119476, 2.113455895 ], [ 0, 0, 2.113455895 ], [ 2.113455895, 0, 0 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "Cr", "Ir", "Rb", "H", "H" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 2.5308096, 0, 0 ], [ 0, 9.363557, 0 ], [ 0, 0, 2.5308096 ] ]
-22.20597
[ 3.635, -0.24, 0.084, 0.003, -0.001 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
4.091727
1.942505
pbe
true
702fc83c94f6e16c5def69806dbdabde_123_Rb1Cr1Ir1H2
[ "Cr", "H", "Mo", "Os" ]
5
A2BCD
CrHMo2Os
Cr1 Mo2 Os1 H1
4
[ 1, 1, 1 ]
3
[ [ 3.95853984, 0, 0 ], [ 0, 3.95853984, 0 ], [ 0, 0, 3.84064852 ] ]
agm001616604
[ [ 0, 0, 1.92032426 ], [ 0, 1.97926992, 0 ], [ 1.97926992, 0, 0 ], [ 1.97926992, 1.97926992, 1.92032426 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
[ "Cr", "Mo", "Mo", "Os", "H" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 9.706914, 0, 0 ], [ 0, 9.706914, 0 ], [ 0, 0, 9.401582 ] ]
-45.178506
[ 0.341, -0.036, -0.036, -0.009, -0.001 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.276041
4.836706
pbe
true
9dee4980d6a610871457bdcb33bef6ae_123_Cr1Mo2Os1H1
[ "Cr", "H", "Rh", "Zn" ]
5
A2BCD
CrHRh2Zn
Zn1 Cr1 H1 Rh2
4
[ 1, 1, 1 ]
3
[ [ 3.95953189, 0, 0 ], [ 0, 3.95953189, 0 ], [ 0, 0, 3.71931952 ] ]
agm001620297
[ [ 0, 0, 1.85965976 ], [ 1.979765945, 1.979765945, 1.85965976 ], [ 0, 1.979765945, 0 ], [ 1.979765945, 0, 0 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Cr", "Zn", "Rh", "Rh", "H" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 14.147992, 0, 0 ], [ 0, 14.147992, 0 ], [ 0, 0, 12.863594 ] ]
-29.747921
[ 2.917, -0.006, 0.012, 0.012, -0.006 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.127189
2.373121
pbe
true
777c5f072ab4ddb5b8c8b8fde7adb1de_123_Zn1Cr1H1Rh2
[ "Cr", "Hf", "Nb", "Ru" ]
4
ABCD
CrHfNbRu
Hf1 Nb1 Cr1 Ru1
4
[ 1, 1, 1 ]
3
[ [ 4.49956846, 0, 0 ], [ 2.24978423, 3.89674059, 0 ], [ 2.24978423, 1.29891353, 3.67388226 ] ]
agm001313589
[ [ 0, 0, 0 ], [ 2.24978423, 1.29891353, 0.918470565 ], [ 6.749352689999999, 3.89674059, 2.7554116950000003 ], [ 4.49956846, 2.59782706, 1.83694113 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}]
[ "Ru", "Nb", "Hf", "Cr" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 4.664396, 0, 0 ], [ 0, 4.664396, 0 ], [ 0, 0, 4.664396 ] ]
-39.882706
[ 0.064, -0.18, -0.052, 0.667 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.499319
3.504416
pbe
true
8c71264dcd863b2e55d284b46a361eab_216_Hf1Nb1Cr1Ru1
[ "Cr", "Ho", "Li", "S" ]
8
A4B2CD
CrHoLi2S4
Li2 Ho1 Cr1 S4
4
[ 1, 1, 1 ]
3
[ [ 3.71770236, -0.00000202, -0.00000162 ], [ 0.00003873, 6.46489245, -0.17172347 ], [ 0.00003404, 2.23364261, 5.94594824 ] ]
agm004860289
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}]
[ "Li", "Li", "Ho", "Cr", "S", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.125, 0.125, 0.25, 0.5 ]
[ [ 0.25817344, 0.00000263, 0.00000152 ], [ 0.00000263, 0.37379053, 0.14334959 ], [ 0.00000152, 0.14335056, 0.22061925 ] ]
-45.469527
[ -0.006, 0.007, 0.025, 2.903, -0.018, -0.018, -0.05, -0.05 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -4e-8, -0.00409084, -0.00338057 ], [ 4e-8, 0.00409084, 0.00338057 ], [ -3e-8, -0.00553705, 0.00190676 ], [ 3e-8, 0.00553705, -0.00190676 ] ]
2.99794
-0.029798
pbe
true
b9febbc5f48f78b8d89fc8951f43e59d_10_Li2Ho1Cr1S4
[ "Cr", "I", "Nb", "Pd" ]
5
A2BCD
CrINb2Pd
Nb2 Cr1 Pd1 I1
4
[ 1, 1, 1 ]
3
[ [ 4.62118968, 0, 0 ], [ 0, 4.9093972, 0 ], [ 0, 0, 4.62118968 ] ]
agm001507252
[ [ 0, 2.4546986, 0 ], [ 0, 0, 0 ], [ 0, 0, 2.31059484 ], [ 2.31059484, 0, 0 ], [ 2.31059484, 2.4546986, 2.31059484 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"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"]}]
[ "I", "Cr", "Nb", "Nb", "Pd" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ -1.6472893, 0, 0 ], [ 0, 6.6787496, 0 ], [ 0, 0, -1.6472893 ] ]
-30.644613
[ -0.001, 0.007, 0.001, -0.005, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000356
6.504499
pbe
true
28a8c6b49085e3008e608e05ba98c0de_123_Nb2Cr1Pd1I1
[ "Cr", "I", "Ru", "Sr" ]
5
A2BCD
CrIRu2Sr
Sr1 Cr1 Ru2 I1
4
[ 1, 1, 1 ]
3
[ [ 4.93495385, 0, 0 ], [ 0, 5.81866721, 0 ], [ 0, 0, 4.93495385 ] ]
agm001574977
[ [ 0, 0, 0 ], [ 0, 0, 2.467476925 ], [ 2.467476925, 0, 0 ], [ 2.467476925, 2.909333605, 2.467476925 ], [ 0, 2.909333605, 0 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "I", "Ru", "Ru", "Cr", "Sr" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 2.829064, 0, 0 ], [ 0, 1.5440031, 0 ], [ 0, 0, 2.829064 ] ]
-24.192919
[ -0.027, -0.844, -1.096, 4.166, 0.052 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.122577
6.157772
pbe
true
19c2cfad9b702712cac3af742081e7bf_123_Sr1Cr1Ru2I1
[ "Cr", "Ir", "Pt", "V" ]
4
ABCD
CrIrPtV
V1 Cr1 Ir1 Pt1
4
[ 1, 1, 1 ]
3
[ [ 3.82116144, 0, 0 ], [ 0, 3.86196034, 0 ], [ 0, 0, 3.76745897 ] ]
agm005213978
[ [ 0, 1.93098017, 1.883729485 ], [ 1.91058072, 0, 1.883729485 ], [ 1.91058072, 1.93098017, 0 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "V", "Cr", "Ir", "Pt" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 5.29669, 0, 0 ], [ 0, 5.5137386, 0 ], [ 0, 0, 6.0944543 ] ]
-35.235801
[ -0.578, 1.78, -0.039, -0.007 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.215978
3.922112
pbe
true
75f71b4438dca7eeedb267c7c50c6792_47_V1Cr1Ir1Pt1
[ "Cr", "Ir", "Rh", "Ru" ]
8
A4B2CD
CrIrRh2Ru4
Cr1 Ir1 Ru4 Rh2
4
[ 1, 1, 1 ]
3
[ [ 3.80473482, -0.00001394, -0.00001136 ], [ 0.00001174, 8.49745891, -0.92948738 ], [ 0.00001342, 2.04206768, 3.1973044 ] ]
agm004854887
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "Cr", "Ir", "Ru", "Ru", "Ru", "Ru", "Rh", "Rh" ]
2023-11-16 06:57:59
[ 0.125, 0.125, 0.25, 0.5 ]
[ [ 10.073838, -0.00001918, 3.8e-7 ], [ -0.00001918, 9.545093, 0.42398673 ], [ 3.8e-7, 0.42406854, 9.591832 ] ]
-70.245222
[ 0.912, -0.071, -0.102, -0.102, -0.093, -0.093, 0.033, -0.041 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.02241348, -0.01212648 ], [ 0, -0.02241348, 0.01212648 ], [ 0, 0.01894207, -0.00971169 ], [ 0, -0.01894207, 0.00971169 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.497673
8.879326
pbe
true
741ace0a7ccb9e3f1acba170a44b0f90_47_Cr1Ir1Ru4Rh2
[ "Cs", "Li", "O", "U" ]
20
A12B4C3D
CsLi4O12U3
Cs1 Li4 U3 O12
4
[ 1, 1, 1 ]
3
[ [ 7.22457486, -0.15188883, -0.21101506 ], [ -1.88812723, 6.97513639, -0.21101506 ], [ -1.88812723, -2.4141827, 6.54742521 ] ]
agm004708012
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Li", "Li", "Li", "Li", "U", "U", "U", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.05, 0.2, 0.6, 0.15 ]
[ [ 0.7159286, 0.06813365, 0.09465624 ], [ 0.06813365, 0.74975795, 0.12102863 ], [ 0.09465624, 0.12102863, 0.83078325 ] ]
-153.422135
[ 0.003, 0.002, 0.002, 0.002, 0, 0.003, 0.003, 0.003, 0.04, 0.028, 0.028, 0.028, 0.051, 0.051, 0.051, 0.051, 0.051, 0.051, 0.04, 0.04 ]
[ [ 0, 0, 0 ], [ -0.00044045, 0.00034448, 0 ], [ 0.00044045, 0.00010934, -0.00032666 ], [ 0, -0.00045382, 0.00032666 ], [ 0, 0, 0 ], [ -0.00257079, 0.00201061, 0 ], [ 0.00257079, 0.00063822, -0.00190663 ], [ 0, -0.00264883, 0.00190663 ], [ 0, -0.00085689, 0.00061679 ], [ -0.00134002, -0.00033267, 0.00099382 ], [ 0.00134002, -0.00104802, 0 ], [ 0, 0.00138069, -0.00099382 ], [ 0.00245108, 0.00108199, -0.00065325 ], [ -0.00152512, 0.00214686, 0.00081867 ], [ 0.00045954, -0.00145733, 0.0022957 ], [ -0.00245108, 0.00096291, -0.00081867 ], [ -0.00045954, -0.00263956, 0.00065325 ], [ 0.00152512, -0.00009487, -0.0022957 ], [ 0.00083164, 0.00020646, -0.00061679 ], [ -0.00083164, 0.00065043, 0 ] ]
0.63049
19.517141
pbe
true
d5b6bfb8ff0bf8ffe37a0d81542b3253_155_Cs1Li4U3O12
[ "Cr", "K", "Np", "S" ]
16
A8B4C3D
CrK4Np3S8
K4 Np3 Cr1 S8
4
[ 1, 1, 1 ]
3
[ [ 7.99602161, 0, 0 ], [ 0, 8.66207043, 0.45557846 ], [ -3.99801081, -3.98859556, 5.66059842 ] ]
agm004729391
[ [ 3.998010805, 0, 0 ], [ 1.9990054, -1.99429778, 2.83029921 ], [ 0, 0, 0 ], [ -1.999005405, -1.99429778, 2.83029921 ], [ 3.998010805, 4.331035215, 0.22778923 ], [ 1.9990054, 2.336737435, 3.05808844 ], [ -1.999005405, 2.336737435, 3.05808844 ], [ 0, 4.331035215, 0.22778923 ], [ -2.0655802432886183, 2.154447047261109, 5.800377545006798 ], [ -2.2605513608342285e-9, 4.215256514154854, 2.875757635342196 ], [ -2.653419239885054e-9, 0.44761091548449833, 3.1388562277886143 ], [ 2.0655802336008846, 2.154447047261109, 5.800377545006798 ], [ 1.932430566399115, 2.5190278227388916, 0.31579933499320223 ], [ 3.9980108026534187, 4.225863954515502, 2.977320652211386 ], [ 3.998010802260551, 0.4582183558451462, 3.2404192446578044 ], [ 6.063591043288619, 2.5190278227388916, 0.31579933499320223 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}]
[ "K", "K", "K", "K", "Np", "Np", "Np", "Cr", "S", "S", "S", "S", "S", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.0625, 0.25, 0.1875, 0.5 ]
[ [ 0.98257744, 0, 0 ], [ 0, 0.9896918, 0.0153025 ], [ 0, 0.01530018, 1.0067242 ] ]
-105.947615
[ 0.004, 0.001, 0.001, 0.001, 3.749, 3.749, 3.749, 3.513, -0.089, -0.089, -0.083, -0.089, -0.089, -0.083, -0.089, -0.089 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00365249, 0.00216773, -0.00128397 ], [ 0, -0.00160611, 0.00401917 ], [ 0, 0.00114749, 0.00090794 ], [ -0.00365249, 0.00216773, -0.00128397 ], [ 0.00365249, -0.00216773, 0.00128397 ], [ 0, -0.00114749, -0.00090794 ], [ 0, 0.00160611, -0.00401917 ], [ -0.00365249, -0.00216773, 0.00128397 ] ]
14.999998
31.849537
pbe
true
fd4519a310f600a818579b63224c91ec_166_K4Np3Cr1S8
[ "Cr", "K", "N", "Pr" ]
12
A3BCD
CrKN3Pr
K2 Pr2 Cr2 N6
4
[ 1, 1, 1 ]
3
[ [ 3.7511429, 0, 0 ], [ -1.87557145, 6.82160293, -0.00844832 ], [ 0, -2.07927661, 7.75279471 ] ]
agm005030910
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "K", "K", "Pr", "Pr", "Cr", "Cr", "N", "N", "N", "N", "N", "N" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]
[ [ 0.5003916, 0, 0 ], [ 0, 0.5681057, -0.07789387 ], [ 0, -0.07789372, 0.44019556 ] ]
-86.017708
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00042508, -0.00031011 ], [ 0, -0.00042508, 0.00031011 ], [ 0, -0.00427383, 0.00005717 ], [ 0, 0.00427383, -0.00005717 ], [ 0, -0.00162024, 0.00200006 ], [ 0, 0.00162024, -0.00200006 ], [ 0, 0.00177343, -0.00370753 ], [ 0, -0.00028513, 0.00193488 ], [ 0, 0.00281184, -0.00366305 ], [ 0, 0.00028513, -0.00193488 ], [ 0, -0.00281184, 0.00366305 ], [ 0, -0.00177343, 0.00370753 ] ]
0
1.7885
pbe
true
83d30b17dff29fac7e08627cc62675de_12_K2Pr2Cr2N6
[ "Cr", "Li", "P", "Ti" ]
5
A2BCD
Cr2LiPTi
Li1 Ti1 Cr2 P1
4
[ 1, 1, 1 ]
3
[ [ 4.11036947, 0, 0 ], [ 0, 4.21344839, 0 ], [ 0, 0, 4.11036947 ] ]
agm001551356
[ [ 0, 0, 2.055184735 ], [ 2.055184735, 0, 0 ], [ 0, 0, 0 ], [ 2.055184735, 2.106724195, 2.055184735 ], [ 0, 2.106724195, 0 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Cr", "Cr", "Li", "P", "Ti" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 3.438021, 0, 0 ], [ 0, 3.7039459, 0 ], [ 0, 0, 3.438021 ] ]
-29.551956
[ 2.718, 2.354, -0.053, -0.073, -0.742 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
4.475798
4.457161
pbe
true
235142a85d7ece25ddfec06eace5b6fe_123_Li1Ti1Cr2P1
[ "Cr", "Lu", "Mg", "S" ]
14
A8B3C2D
Cr3LuMg2S8
Lu1 Mg2 Cr3 S8
4
[ 1, 1, 1 ]
3
[ [ 7.36564884, 0.03892248, 0.02742688 ], [ 3.73433345, 6.37296886, 0.009591 ], [ 3.73458895, 2.14016113, 6.0027677 ] ]
agm003214730
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
[ "Lu", "Mg", "Mg", "Cr", "Cr", "Cr", "S", "S", "S", "S", "S", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.21428571428571427, 0.07142857142857142, 0.14285714285714285, 0.5714285714285714 ]
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-85.278093
[ 0.016, 0.003, 0.003, 2.844, -2.801, 2.844, -0.031, -0.001, -0.001, -0.045, -0.001, -0.045, -0.031, -0.001 ]
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2.976586
-0.042927
pbe
true
7b56d381d805a388685c0d7160318759_12_Lu1Mg2Cr3S8
[ "Cr", "Mg", "O", "Sb" ]
20
A6B2CD
CrMg2O6Sb
Mg4 Cr2 Sb2 O12
4
[ 1, 1, 1 ]
3
[ [ 5.18247161, 0.0056096, -1e-8 ], [ -0.04011135, 5.36304993, 0 ], [ 0.00000843, 0.00000248, 7.63292434 ] ]
agm003225374
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Mg", "Mg", "Mg", "Mg", "Cr", "Cr", "Sb", "Sb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.2, 0.6, 0.1 ]
[ [ 1.2609518, 0.00857415, 0.00000142 ], [ 0.00857438, 1.1494935, 4.2e-7 ], [ 0.00000142, 4.2e-7, 1.283645 ] ]
-129.959413
[ 0.001, 0.001, 0.002, 0.002, 2.963, 2.963, 0.009, 0.009, -0.007, -0.009, -0.007, -0.009, -0.009, -0.009, 0.004, -0.007, -0.032, -0.007, 0.004, -0.032 ]
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5.999972
0
pbe
true
36abd4210c2a02564fcca7cf730e57a9_11_Mg4Cr2Sb2O12
[ "Cr", "Mg", "Pt", "Si" ]
5
A2BCD
Cr2MgPtSi
Mg1 Cr2 Si1 Pt1
4
[ 1, 1, 1 ]
3
[ [ 4.85007604, 0, 0 ], [ 0, 4.83532381, 0 ], [ 0, 0, 4.85007604 ] ]
agm001458530
[ [ 0, 0, 2.42503802 ], [ 2.42503802, 0, 0 ], [ 2.42503802, 2.417661905, 2.42503802 ], [ 0, 2.417661905, 0 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Cr", "Cr", "Si", "Mg", "Pt" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 5.2376647, 0, 0 ], [ 0, -0.08902071, 0 ], [ 0, 0, 5.2376647 ] ]
-28.068363
[ 3.515, 3.632, -0.147, -0.017, 0.097 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
7.545536
4.803331
pbe
true
40092c6f9c3a5c780a3dfb3c854ebbe5_123_Mg1Cr2Si1Pt1
[ "Cr", "Mg", "Rb", "Ta" ]
5
A2BCD
CrMgRbTa2
Rb1 Mg1 Ta2 Cr1
4
[ 1, 1, 1 ]
3
[ [ 4.82235785, 0, 0 ], [ 0, 4.82965773, 0 ], [ 0, 0, 4.82235785 ] ]
agm001501024
[ [ 2.411178925, 2.414828865, 2.411178925 ], [ 0, 2.414828865, 0 ], [ 0, 0, 0 ], [ 0, 0, 2.411178925 ], [ 2.411178925, 0, 0 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "Cr", "Mg", "Rb", "Ta", "Ta" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 1.9809076, 0, 0 ], [ 0, 2.3215735, 0 ], [ 0, 0, 1.9809076 ] ]
-19.482723
[ 0.079, -0.008, 0.063, 0.233, 0.091 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.542453
8.821522
pbe
true
c7f5ac8922ded2e6e3a1e36a3aabff04_123_Rb1Mg1Ta2Cr1