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[ "Fe", "Ga", "Mg", "Rb" ]
5
A2BCD
FeGa2MgRb
Rb1 Mg1 Ga2 Fe1
4
[ 1, 1, 1 ]
3
[ [ 4.74585192, 0, 0 ], [ 0, 4.74585192, 0 ], [ 0, 0, 5.07244717 ] ]
agm001658995
[ [ 0, 0, 2.536223585 ], [ 0, 2.37292596, 0 ], [ 2.37292596, 0, 0 ], [ 2.37292596, 2.37292596, 2.536223585 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Mg", "Ga", "Ga", "Rb", "Fe" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 3.113687, 0, 0 ], [ 0, 3.113687, 0 ], [ 0, 0, 3.32834 ] ]
-16.782081
[ 0, 0, 0, 0, 0.003 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.001607
2.880426
pbe
true
ffb837b8a5f1ef32b35f545ca6d8221c_123_Rb1Mg1Ga2Fe1
[ "Fe", "Ga", "Pd", "Re" ]
5
A2BCD
Fe2GaPdRe
Ga1 Fe2 Re1 Pd1
4
[ 1, 1, 1 ]
3
[ [ 4.48235663, 0, 0 ], [ 0, 4.93522704, 0 ], [ 0, 0, 4.48235663 ] ]
agm001468210
[ [ 0, 0, 0 ], [ 2.241178315, 2.46761352, 2.241178315 ], [ 0, 2.46761352, 0 ], [ 0, 0, 2.241178315 ], [ 2.241178315, 0, 0 ] ]
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Re", "Ga", "Pd", "Fe", "Fe" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 3.1426725, 0, 0 ], [ 0, 3.9304287, 0 ], [ 0, 0, 3.1426725 ] ]
-31.022033
[ -0.226, 0.009, -0.037, 2.101, 1.784 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.704094
8.410651
pbe
true
414d9d8d42747603e3e34b93c4d09796_123_Ga1Fe2Re1Pd1
[ "Fe", "Ge", "H", "Pu" ]
10
A2BCD
Fe2GeHPu
Pu2 Fe4 Ge2 H2
4
[ 1, 1, 1 ]
3
[ [ 3.61246627, 0, 0 ], [ -1.80623313, 5.31007095, 0 ], [ 0, 0, 7.2683624 ] ]
agm005007540
[ [ 4.611552064163055e-9, 4.897533874325718, 5.4512718 ], [ 1.806233135388448, 0.41253707567428205, 1.8170906 ], [ 1.9774095601046072e-8, 1.8179179234347074, 6.851920195303143 ], [ 1.8062331202259043, 3.4921530265652923, 0.416442204696856 ], [ 1.9774095601046072e-8, 1.8179179234347074, 4.050623404696856 ], [ 1.8062331202259043, 3.4921530265652923, 3.217738995303144 ], [ 1.8062331193590486, 2.5715394414758146, 5.4512718 ], [ 2.0640951904974038e-8, 2.7385315085241855, 1.8170906 ], [ 0, 0, 0 ], [ 0, 0, 3.6341812 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "Pu", "Pu", "Fe", "Fe", "Fe", "Fe", "Ge", "Ge", "H", "H" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 6.0495954, 0, 0 ], [ 0, 6.706039, 0 ], [ 0, 0, 6.926927 ] ]
-79.599062
[ 5.015, 5.015, 2.023, 2.023, 2.023, 2.023, -0.096, -0.096, -0.02, -0.02 ]
[ [ 0, 0.00193389, 0 ], [ 0, -0.00193389, 0 ], [ 0, -0.00068483, 0.00633755 ], [ 0, 0.00068483, -0.00633755 ], [ 0, -0.00068483, -0.00633755 ], [ 0, 0.00068483, 0.00633755 ], [ 0, 0.00391967, 0 ], [ 0, -0.00391967, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
18.260872
21.925348
pbe
true
331b1e8e04a8e19a58edb9480b8e82f3_63_Pu2Fe4Ge2H2
[ "Fe", "Ge", "Hf", "Ru" ]
4
ABCD
FeGeHfRu
Hf1 Fe1 Ge1 Ru1
4
[ 1, 1, 1 ]
3
[ [ 4.3392556, 0, 0 ], [ 2.1696278, 3.75790558, 0 ], [ 2.1696278, 1.25263519, 3.54298736 ] ]
agm001284875
[ [ 4.3392556, 2.505270385, 1.77149368 ], [ 2.1696278, 1.2526351925, 0.88574684 ], [ 6.508883400000001, 3.7579055775000003, 2.65724052 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
[ "Ru", "Ge", "Hf", "Fe" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 4.801228, 0, 0 ], [ 0, 4.801228, 0 ], [ 0, 0, 4.801228 ] ]
-34.213545
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000006
0.295447
pbe
true
1dcc7c7da127c3562466fe1e4ed4c2ed_216_Hf1Fe1Ge1Ru1
[ "Fe", "Ge", "I", "Pt" ]
5
A2BCD
FeGeIPt2
Fe1 Ge1 Pt2 I1
4
[ 1, 1, 1 ]
3
[ [ 4.76931847, 0, 0 ], [ 0, 4.76931847, 0 ], [ 0, 0, 4.64338735 ] ]
agm001423034
[ [ 2.384659235, 2.384659235, 2.321693675 ], [ 0, 0, 0 ], [ 0, 0, 2.321693675 ], [ 0, 2.384659235, 0 ], [ 2.384659235, 0, 0 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "I", "Ge", "Fe", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 3.6998582, 0, 0 ], [ 0, 3.6998582, 0 ], [ 0, 0, 3.4874942 ] ]
-23.148543
[ -0.008, -0.105, 2.724, -0.131, -0.131 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.363934
6.569231
pbe
true
bab28ecfea1aac67ca2bc38a63352b5f_123_Fe1Ge1Pt2I1
[ "Fe", "Hf", "I", "Sb" ]
5
A2BCD
FeHfISb2
Hf1 Fe1 Sb2 I1
4
[ 1, 1, 1 ]
3
[ [ 4.90688183, 0, 0 ], [ 0, 4.90688183, 0 ], [ 0, 0, 5.32090579 ] ]
agm001780096
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[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "I", "Sb", "Sb", "Hf", "Fe" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 1.1593995, 0, 0 ], [ 0, 1.1593995, 0 ], [ 0, 0, 1.258927 ] ]
-24.759696
[ -0.005, -0.011, -0.011, 0.352, 1.624 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.216952
5.585558
pbe
true
81beb239f80fb1ba076b6d5cb2c2f47b_123_Hf1Fe1Sb2I1
[ "Fe", "Hf", "Lu", "Pd" ]
4
ABCD
FeHfLuPd
Lu1 Hf1 Fe1 Pd1
4
[ 1, 1, 1 ]
3
[ [ 4.64587683, 0, 0 ], [ 2.32293842, 4.02344736, 0 ], [ 2.32293842, 1.34114912, 3.79334255 ] ]
agm001396762
[ [ 2.3229384174999996, 1.3411491199999999, 0.9483356375 ], [ 6.9688152525, 4.02344736, 2.8450069125 ], [ 4.645876834999999, 2.6822982399999997, 1.896671275 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
[ "Lu", "Hf", "Fe", "Pd" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 4.338631, 0, 0 ], [ 0, 4.338631, 0 ], [ 0, 0, 4.338631 ] ]
-29.765996
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000063
2.088934
pbe
true
ca4a7436f9f0763d536b0059840f96f5_216_Lu1Hf1Fe1Pd1
[ "Fe", "Hf", "Tc", "Ti" ]
4
ABCD
FeHfTcTi
Hf1 Ti1 Fe1 Tc1
4
[ 1, 1, 1 ]
3
[ [ 3.13673054, 0, 0 ], [ 0, 4.35118693, 0 ], [ 0, 0, 4.47620631 ] ]
agm005188296
[ [ 0, 2.175593465, 2.238103155 ], [ 0, 0, 0 ], [ 1.56836527, 0, 2.238103155 ], [ 1.56836527, 2.175593465, 0 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Hf", "Ti", "Fe", "Tc" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 3.2708678, 0, 0 ], [ 0, 3.147289, 0 ], [ 0, 0, 3.2866185 ] ]
-38.208
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000093
3.082228
pbe
true
0f13591189095e4b8d950ddbad0753d2_47_Hf1Ti1Fe1Tc1
[ "Fe", "Hg", "I", "Rb" ]
5
A2BCD
FeHgI2Rb
Rb1 Fe1 Hg1 I2
4
[ 1, 1, 1 ]
3
[ [ 6.16295057, 0, 0 ], [ 0, 6.56880866, 0 ], [ 0, 0, 6.16295057 ] ]
agm001487612
[ [ 0, 0, 3.081475285 ], [ 3.081475285, 0, 0 ], [ 0, 0, 0 ], [ 0, 3.28440433, 0 ], [ 3.081475285, 3.28440433, 3.081475285 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "I", "I", "Hg", "Rb", "Fe" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.3870576, 0, 0 ], [ 0, 1.276915, 0 ], [ 0, 0, 0.3870576 ] ]
-10.497654
[ 0.022, 0.003, -0.019, -0.002, 3.484 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.996072
1.409562
pbe
true
f55d6006f4b959563dcd103c298989f2_123_Rb1Fe1Hg1I2
[ "Fe", "Hg", "K", "Sb" ]
5
A2BCD
FeHgKSb2
K1 Fe1 Hg1 Sb2
4
[ 1, 1, 1 ]
3
[ [ 5.00036739, 0, 0 ], [ 0, 5.28474766, 0 ], [ 0, 0, 5.00036739 ] ]
agm001565596
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[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
[ "Sb", "Sb", "K", "Hg", "Fe" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 1.7887273, 0, 0 ], [ 0, 1.8425591, 0 ], [ 0, 0, 1.7887273 ] ]
-17.718342
[ 0, 0, 0, 0, -0.001 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000712
4.251898
pbe
true
d43f01597eb37e397b909dc0451bd086_123_K1Fe1Hg1Sb2
[ "Fe", "Hg", "Li", "O" ]
5
A2BCD
FeHgLi2O
Li2 Fe1 Hg1 O1
4
[ 1, 1, 1 ]
3
[ [ 4.20706083, 0, 0 ], [ 0, 4.02046811, 0 ], [ 0, 0, 4.20706083 ] ]
agm001581693
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"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": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}]
[ "Li", "Li", "Hg", "O", "Fe" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
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-18.645214
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[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.672745
1.661681
pbe
true
cb9e351c50987ba2b356770762aa40ba_123_Li2Fe1Hg1O1
[ "Fe", "Ho", "Pr", "Zn" ]
4
ABCD
FeHoPrZn
Pr1 Ho1 Zn1 Fe1
4
[ 1, 1, 1 ]
3
[ [ 5.01026276, 0, 0 ], [ 2.50513138, 4.33901483, 0 ], [ 2.50513138, 1.44633828, 4.09086242 ] ]
agm001372439
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[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Zn", "Ho", "Fe" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.2593749, 0, 0 ], [ 0, 2.2593749, 0 ], [ 0, 0, 2.2593749 ] ]
-19.141889
[ -0.178, -0.022, -0.34, 2.042 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.326124
4.239563
pbe
true
9da2a4e00523d78f9028973ca22b68d2_216_Pr1Ho1Zn1Fe1
[ "Fe", "In", "P", "S" ]
5
A2BCD
FeInP2S
In1 Fe1 P2 S1
4
[ 1, 1, 1 ]
3
[ [ 4.99087361, 0, 0 ], [ 0, 4.99087361, 0 ], [ 0, 0, 4.97554341 ] ]
agm001764756
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "P", "P", "S", "Fe", "In" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 1.3833447, 0, 0 ], [ 0, 1.3833447, 0 ], [ 0, 0, 1.2519703 ] ]
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3.100771
8.610133
pbe
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6c9eec4e27371ed384744c1904c51483_123_In1Fe1P2S1
[ "Fe", "Ir", "Pt", "Ti" ]
20
A5B2C2D
FeIr2Pt2Ti5
Ti10 Fe2 Ir4 Pt4
4
[ 1, 1, 1 ]
3
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agm005130507
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[ "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Fe", "Fe", "Ir", "Ir", "Ir", "Ir", "Pt", "Pt", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.1, 0.2, 0.2, 0.5 ]
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0.000425
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pbe
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abf215c2db8990846c01285fb06b0f74_127_Ti10Fe2Ir4Pt4
[ "Fe", "Li", "N", "U" ]
16
A8B4C3D
FeLi4N8U3
Li4 U3 Fe1 N8
4
[ 1, 1, 1 ]
3
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agm004735487
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[ "Li", "Li", "Li", "Li", "U", "U", "U", "Fe", "N", "N", "N", "N", "N", "N", "N", "N" ]
2023-11-16 06:57:59
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pbe
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d36d51f318f627c65a4bfe79a348d667_12_Li4U3Fe1N8
[ "Fe", "Li", "O", "V" ]
14
A8B3C2D
Fe3Li2O8V
Li2 V1 Fe3 O8
4
[ 1, 1, 1 ]
3
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agm003214931
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[ "Li", "Li", "V", "Fe", "Fe", "Fe", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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14.999995
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pbe
true
05dfb8a4f6989489ae2319f10acda609_166_Li2V1Fe3O8
[ "Fe", "Mg", "Mn", "O" ]
16
A8B6CD
FeMg6MnO8
Mg6 Mn1 Fe1 O8
4
[ 1, 1, 1 ]
3
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agm005248468
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mn", "Fe", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.0625, 0.375, 0.0625, 0.5 ]
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8.999993
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pbe
true
f79d93c65d9e5c3d91d98d7e656b6171_123_Mg6Mn1Fe1O8
[ "Fe", "Mg", "N", "Pd" ]
5
A2BCD
FeMg2NPd
Mg2 Fe1 Pd1 N1
4
[ 1, 1, 1 ]
3
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agm001658657
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[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Mg", "Mg", "Fe", "Pd", "N" ]
2023-11-16 06:57:59
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0.000013
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pbe
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7fa7d2f0c508f6a0b197c895f54753bd_123_Mg2Fe1Pd1N1
[ "Fe", "Mg", "Np", "O" ]
10
A6B2CD
Fe2MgNpO6
Mg1 Np1 Fe2 O6
4
[ 1, 1, 1 ]
3
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agm004953321
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[ "Mg", "Np", "Fe", "Fe", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.1, 0.1, 0.6 ]
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3
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pbe
true
7b208ccc551edea6cf41e3b6029ed826_1_Mg1Np1Fe2O6
[ "Fe", "Mn", "Nb", "O" ]
36
A24B8C3D
Fe3MnNb8O24
Mn1 Nb8 Fe3 O24
4
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3
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agm003244421
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[ "Mn", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Fe", "Fe", "Fe", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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2.999997
-0.006178
pbe
true
b6f49a81a19c47ec115dd2a9f6acc382_1_Mn1Nb8Fe3O24
[ "Fe", "N", "O", "Tl" ]
5
A2BCD
FeNO2Tl
Tl1 Fe1 N1 O2
4
[ 1, 1, 1 ]
3
[ [ 3.78551866, 0, 0 ], [ 0, 3.78551866, 0 ], [ 0, 0, 4.20561815 ] ]
agm001749427
[ [ 1.89275933, 1.89275933, 2.102809075 ], [ 0, 0, 0 ], [ 0, 1.89275933, 0 ], [ 1.89275933, 0, 0 ], [ 0, 0, 2.102809075 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Tl", "Fe", "O", "O", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 1.1250154, 0, 0 ], [ 0, 1.1250154, 0 ], [ 0, 0, 1.3862995 ] ]
-26.058876
[ -0.009, 3.875, 0.081, 0.081, -0.092 ]
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3.953323
3.299349
pbe
true
793598846b93e2d30cd0840e560aed71_123_Tl1Fe1N1O2
[ "Fe", "Na", "P", "Si" ]
5
A2BCD
FeNa2PSi
Na2 Fe1 Si1 P1
4
[ 1, 1, 1 ]
3
[ [ 5.63634205, 0, 0 ], [ 0, 5.63634205, 0 ], [ 0, 0, 4.42604598 ] ]
agm001424155
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[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "P", "Si", "Fe", "Na", "Na" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 8.294922, 0, 0 ], [ 0, 8.294922, 0 ], [ 0, 0, 1.8995129 ] ]
-17.316206
[ 0.067, 0.053, 3.328, -0.004, -0.004 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.778228
8.229455
pbe
true
9abd4e6b25af132913c3522229db10a4_123_Na2Fe1Si1P1
[ "Fe", "Ni", "O", "Sm" ]
20
A6B2CD
FeNiO6Sm2
Sm4 Fe2 Ni2 O12
4
[ 1, 1, 1 ]
3
[ [ 5.36538242, 0, -0.01491548 ], [ 0, 5.63208502, 0 ], [ 0.02670386, 0, 7.60509025 ] ]
agm004968039
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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": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Sm", "Sm", "Sm", "Sm", "Fe", "Fe", "Ni", "Ni", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.1, 0.6, 0.2 ]
[ [ 1.0383946, 0, 0.06855347 ], [ 0, 1.166497, 0 ], [ 0.06855373, 0, 1.5829167 ] ]
-140.080261
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7.928778
-0.122251
pbe
true
e17c313f5afe898b09a3770ee2ff3ff1_14_Sm4Fe2Ni2O12
[ "Fe", "Ni", "Si", "Tm" ]
9
A3B3C2D
Fe3NiSi2Tm3
Tm3 Fe3 Si2 Ni1
4
[ 1, 1, 1 ]
3
[ [ 4.15956394, 0, 0 ], [ 0, 6.54308177, 0 ], [ 0, -3.27154088, 5.66647503 ] ]
agm002315905
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[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Ni", "Si", "Si", "Tm", "Tm", "Tm", "Fe", "Fe", "Fe" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.1111111111111111, 0.2222222222222222, 0.3333333333333333 ]
[ [ 0.64628524, 0, 0 ], [ 0, 0.83199984, 0 ], [ 0, 0, 0.83199984 ] ]
-58.792318
[ 0.356, -0.022, -0.022, -0.136, -0.136, -0.136, 2.216, 2.216, 2.216 ]
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6.580768
12.00701
pbe
true
77883ef9ee2e3698710d37c64e713be2_189_Tm3Fe3Si2Ni1
[ "Fe", "P", "Th", "V" ]
5
A2BCD
FeP2ThV
Th1 V1 Fe1 P2
4
[ 1, 1, 1 ]
3
[ [ 3.78588496, 0, 0 ], [ 0, 3.78588496, 0 ], [ -1.89294248, -1.89294248, 5.7684682 ] ]
agm005023208
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[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Th", "V", "Fe", "P", "P" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 3.7934234, 0, 0 ], [ 0, 3.7934234, 0 ], [ 0, 0, 3.7441518 ] ]
-40.336493
[ 0.049, 0.636, 1.723, -0.014, -0.014 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00702853 ], [ 0, 0, -0.00702853 ] ]
2.50788
4.865783
pbe
true
bb88c69971099b7d0a63397a1dc89e77_119_Th1V1Fe1P2
[ "Fe", "Re", "Tc", "Y" ]
5
A2BCD
Fe2ReTcY
Y1 Fe2 Re1 Tc1
4
[ 1, 1, 1 ]
3
[ [ 4.43348103, 0, 0 ], [ 0, 5.24232651, 0 ], [ 0, 0, 4.43348103 ] ]
agm001468260
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[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Re", "Tc", "Fe", "Fe" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 3.2248325, 0, 0 ], [ 0, 6.184824, 0 ], [ 0, 0, 3.2248325 ] ]
-38.561204
[ -0.098, -0.146, 2.075, 1.673, 1.417 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
5.036773
5.325677
pbe
true
336779da6ce79492af5a06ee24b1a8cf_123_Y1Fe2Re1Tc1
[ "Fe", "Ru", "Th", "Tm" ]
4
ABCD
FeRuThTm
Tm1 Th1 Fe1 Ru1
4
[ 1, 1, 1 ]
3
[ [ 4.86252083, 0, 0 ], [ 2.43126041, 4.21106656, 0 ], [ 2.43126041, 1.40368885, 3.97023163 ] ]
agm001315157
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[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
[ "Ru", "Tm", "Fe", "Th" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 1.5695392, 0, 0 ], [ 0, 1.5695392, 0 ], [ 0, 0, 1.5695392 ] ]
-30.366265
[ 0.212, -0.229, 1.734, -0.199 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.426284
4.650094
pbe
true
e8a57f9042ec00960830f815f36f817b_216_Tm1Th1Fe1Ru1
[ "Fe", "S", "Sr", "Tl" ]
5
A2BCD
Fe2SSrTl
Sr1 Tl1 Fe2 S1
4
[ 1, 1, 1 ]
3
[ [ 5.02210383, 0, 0 ], [ 0, 6.13005912, 0 ], [ 0, 0, 5.02210383 ] ]
agm001598803
[ [ 2.511051915, 3.06502956, 2.511051915 ], [ 0, 0, 0 ], [ 0, 3.06502956, 0 ], [ 0, 0, 2.511051915 ], [ 2.511051915, 0, 0 ] ]
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "S", "Sr", "Tl", "Fe", "Fe" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 1.5968357, 0, 0 ], [ 0, 3.010191, 0 ], [ 0, 0, 1.5968357 ] ]
-16.139442
[ 0.096, -0.207, -0.04, 2.565, 2.882 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
5.229394
4.158586
pbe
true
f0557dcf4141f92613836c8b360a0a19_123_Sr1Tl1Fe2S1
[ "Ga", "Ge", "In", "La" ]
10
A2BCD
GaGeInLa2
La4 In2 Ga2 Ge2
4
[ 1, 1, 1 ]
3
[ [ 4.81007131, 0, 0 ], [ 0, 7.16321281, 1.08039305 ], [ 0, -1.74611506, 7.74331612 ] ]
agm005000646
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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]
[ "La", "La", "La", "La", "In", "In", "Ga", "Ga", "Ge", "Ge" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 1.8722161, 0, 0 ], [ 0, 1.8223172, -0.00702886 ], [ 0, -0.00702892, 1.7441378 ] ]
-46.430922
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00259673, 0.00058625 ], [ 0, 0.00281782, 0.00286622 ], [ 0, 0.00259673, -0.00058625 ], [ 0, -0.00281782, -0.00286622 ], [ 0, -0.00147041, 0.00231117 ], [ 0, 0.00147041, -0.00231117 ], [ 0, -0.00369426, 0.00026468 ], [ 0, 0.00369426, -0.00026468 ], [ 0, -0.00444446, 0.00464119 ], [ 0, 0.00444446, -0.00464119 ] ]
-0.000001
3.900135
pbe
true
48db14d56d2090a1d3693156222e7b82_11_La4In2Ga2Ge2
[ "Ga", "Hg", "In", "Tl" ]
10
A4B3C2D
GaHg4In3Tl2
Tl2 In3 Ga1 Hg4
4
[ 1, 1, 1 ]
3
[ [ 4.86936684, 0, 0 ], [ 0, 4.86936684, 0 ], [ 0, 0, 12.18797772 ] ]
agm004533797
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]
[ "Tl", "Tl", "In", "In", "In", "Ga", "Hg", "Hg", "Hg", "Hg" ]
2023-11-16 06:57:59
[ 0.1, 0.4, 0.3, 0.2 ]
[ [ 3.289917, 0, 0 ], [ 0, 3.289917, 0 ], [ 0, 0, 9.47089 ] ]
-16.624173
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.00466448 ], [ 0, 0, -0.00466448 ], [ 0, 0, 0 ], [ 0, 0, -0.04551965 ], [ 0, 0, 0.04551965 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.01124372 ], [ 0, 0, 0.01124372 ] ]
0
4.728048
pbe
true
f4305ea97be96a4a9530e2ee7586a22f_115_Tl2In3Ga1Hg4
[ "Ga", "Hf", "O", "Sm" ]
10
A6B2CD
GaHfO6Sm2
Sm2 Hf1 Ga1 O6
4
[ 1, 1, 1 ]
3
[ [ 5.93429718, 0.01362426, -0.30508708 ], [ -0.4789261, 5.85114956, 0.05909832 ], [ -2.53053481, -2.88925296, 4.11366091 ] ]
agm002303479
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "O", "O", "O", "O", "O", "O", "Hf", "Ga", "Sm", "Sm" ]
2023-11-16 06:57:59
[ 0.1, 0.1, 0.6, 0.2 ]
[ [ 0.4676906, -0.09436173, 0.0040044 ], [ -0.09436215, 0.35593486, 0.07315472 ], [ 0.00400494, 0.07315451, 0.31270343 ] ]
-80.845446
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00175662, -0.00109328, 0.00074394 ], [ 0.00066811, -0.0037144, 0.00274899 ], [ 0.0000636, 0.00447852, -0.00179752 ], [ 0.00173635, 0.00111081, -0.00121514 ], [ -0.00143073, -0.00076154, 0.00225809 ], [ 0.00112716, 0.00041376, -0.00220815 ], [ -0.000007, 0.00000426, -0.00001237 ], [ -0.00006842, -0.00008461, -0.00007674 ], [ 0.00172586, -0.00305932, 0.00044441 ], [ -0.00205832, 0.0027058, -0.00088551 ] ]
-0
3.28918
pbe
true
9f82061fe98fc7fbb599b14367b41376_2_Sm2Hf1Ga1O6
[ "Ga", "Hg", "Os", "Zr" ]
5
A2BCD
GaHgOsZr2
Zr2 Ga1 Hg1 Os1
4
[ 1, 1, 1 ]
3
[ [ 4.98352012, 0, 0 ], [ 0, 4.63020843, 0 ], [ 0, 0, 4.98352012 ] ]
agm001567967
[ [ 0, 0, 0 ], [ 2.49176006, 2.315104215, 2.49176006 ], [ 0, 2.315104215, 0 ], [ 0, 0, 2.49176006 ], [ 2.49176006, 0, 0 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ga", "Os", "Hg", "Zr", "Zr" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 2.2718682, 0, 0 ], [ 0, 5.383727, 0 ], [ 0, 0, 2.2718682 ] ]
-26.315189
[ 0.026, 1.278, -0.004, -0.14, -0.069 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.032638
5.354085
pbe
true
d3833e68ddbe5238e85500108c1f0bff_123_Zr2Ga1Hg1Os1
[ "Ga", "Hg", "Mg", "Tm" ]
4
ABCD
GaHgMgTm
Tm1 Mg1 Ga1 Hg1
4
[ 1, 1, 1 ]
3
[ [ 4.97107036, 0, 0 ], [ 2.48553518, 4.30507322, 0 ], [ 2.48553518, 1.43502441, 4.05886195 ] ]
agm001363796
[ [ 0, 0, 0 ], [ 4.97107036, 2.8700488149999996, 2.029430975 ], [ 2.48553518, 1.4350244074999998, 1.0147154875 ], [ 7.456605539999999, 4.3050732225, 3.0441464624999997 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Mg", "Tm", "Hg", "Ga" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.9538114, 0, 0 ], [ 0, 2.9538114, 0 ], [ 0, 0, 2.9538114 ] ]
-11.08802
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
0.636217
pbe
true
b345f7c1fa437a4d82b32fa5298b4eb4_216_Tm1Mg1Ga1Hg1
[ "Ga", "Ho", "Mo", "Pa" ]
4
ABCD
GaHoMoPa
Ho1 Pa1 Ga1 Mo1
4
[ 1, 1, 1 ]
3
[ [ 4.97426096, 0, 0 ], [ 2.48713048, 4.30783635, 0 ], [ 2.48713048, 1.43594545, 4.06146706 ] ]
agm001363581
[ [ 7.46139144, 4.30783635, 3.046100295 ], [ 0, 0, 0 ], [ 4.97426096, 2.8718909, 2.03073353 ], [ 2.48713048, 1.43594545, 1.015366765 ] ]
[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Mo", "Pa", "Ho", "Ga" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 1.5668949, 0, 0 ], [ 0, 1.5668949, 0 ], [ 0, 0, 1.5668949 ] ]
-27.953008
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.00002
3.480264
pbe
true
6e2dbf1926df18cff13c865b71f50d35_216_Ho1Pa1Ga1Mo1
[ "Ga", "Ho", "Rh", "Sc" ]
8
A4B2CD
GaHoRh4Sc2
Ho1 Sc2 Ga1 Rh4
4
[ 1, 1, 1 ]
3
[ [ 4.55304551, 0, 0 ], [ 2.27652276, 3.94305308, 0 ], [ 2.27652275, 1.31435103, 7.47472683 ] ]
agm004801646
[ [ 0, 0, 0 ], [ 6.829568242369384, 3.9430530692891836, 5.455117082788543 ], [ 2.2765227776306154, 1.314351040710816, 2.019609747211457 ], [ 4.55304551, 2.6287020549999998, 3.737363415 ], [ 4.553045507601839, 2.628702056199081, 6.426203843129359 ], [ 6.829568244700387, 3.9430530681236817, 2.841575034568359 ], [ 2.2765227752996124, 1.314351041876318, 4.63315179543164 ], [ 4.553045512398161, 2.628702053800919, 1.0485229868706407 ] ]
[{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"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"]}]
[ "Ho", "Sc", "Sc", "Ga", "Rh", "Rh", "Rh", "Rh" ]
2023-11-16 06:57:59
[ 0.125, 0.125, 0.5, 0.25 ]
[ [ 8.928245, 0, 0 ], [ 0, 8.928245, 0 ], [ 0, 0, 9.118881 ] ]
-57.077177
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.00242043 ], [ 0, 0, -0.00242043 ], [ 0, 0, 0 ], [ 0, 0, -0.00104135 ], [ 0, 0, 0.0009322 ], [ 0, 0, -0.0009322 ], [ 0, 0, 0.00104135 ] ]
0
2.470003
pbe
true
aaebf0cdd291c5b0c9bb26db73fd0ffd_166_Ho1Sc2Ga1Rh4
[ "Ga", "In", "K", "Pt" ]
5
A2BCD
Ga2InKPt
K1 In1 Ga2 Pt1
4
[ 1, 1, 1 ]
3
[ [ 4.96170529, 0, 0 ], [ 0, 4.96170529, 0 ], [ 0, 0, 5.39103748 ] ]
agm001625395
[ [ 2.480852645, 2.480852645, 2.69551874 ], [ 0, 2.480852645, 0 ], [ 2.480852645, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 2.69551874 ] ]
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "K", "Ga", "Ga", "Pt", "In" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 2.9235654, 0, 0 ], [ 0, 2.9235654, 0 ], [ 0, 0, 3.0170891 ] ]
-16.932358
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000006
3.148087
pbe
true
ea1292de6be3891ce1a9082d58755007_123_K1In1Ga2Pt1
[ "Ga", "Ir", "Li", "Mg" ]
5
A2BCD
GaIrLiMg2
Li1 Mg2 Ga1 Ir1
4
[ 1, 1, 1 ]
3
[ [ 5.01061956, 0, 0 ], [ 0, 5.01061956, 0 ], [ 0, 0, 4.77230229 ] ]
agm001657138
[ [ 0, 2.50530978, 0 ], [ 2.50530978, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 2.386151145 ], [ 2.50530978, 2.50530978, 2.386151145 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"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"]}]
[ "Mg", "Mg", "Ir", "Ga", "Li" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 1.7224101, 0, 0 ], [ 0, 1.7224101, 0 ], [ 0, 0, 1.1543236 ] ]
-17.898219
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
1.157544
pbe
true
251fff9185c5a63611e70215e4e3e15f_123_Li1Mg2Ga1Ir1
[ "Ga", "La", "Na", "Nd" ]
4
ABCD
GaLaNaNd
Na1 La1 Nd1 Ga1
4
[ 1, 1, 1 ]
3
[ [ 5.43697724, 0, 0 ], [ 2.71848862, 4.70856041, 0 ], [ 2.71848862, 1.56952014, 4.43927332 ] ]
agm001362138
[ [ 8.15546586, 4.7085604125, 3.32945499 ], [ 0, 0, 0 ], [ 2.71848862, 1.5695201374999999, 1.10981833 ], [ 5.43697724, 3.1390402749999997, 2.21963666 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Na", "Nd", "Ga", "La" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 1.2982599, 0, 0 ], [ 0, 1.2982599, 0 ], [ 0, 0, 1.2982599 ] ]
-14.667741
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000049
5.162221
pbe
true
2bed58a2a1e760d57943dbfb7ad98a59_216_Na1La1Nd1Ga1
[ "Ga", "La", "Pd", "Sn" ]
10
A4B3C2D
Ga3La2Pd4Sn
La2 Ga3 Sn1 Pd4
4
[ 1, 1, 1 ]
3
[ [ 4.40680869, 0, 0 ], [ 0, 4.40680869, 0 ], [ 0, 0, 10.65952188 ] ]
agm004526463
[ [ 2.203404345, 0, 2.626554585461335 ], [ 0, 2.203404345, 8.032967294538665 ], [ 0, 0, 5.32976094 ], [ 2.203404345, 0, 9.365351247263138 ], [ 0, 2.203404345, 1.2941706327368616 ], [ 2.203404345, 2.203404345, 5.32976094 ], [ 2.203404345, 2.203404345, 0 ], [ 0, 0, 0 ], [ 2.203404345, 0, 6.862959838612231 ], [ 0, 2.203404345, 3.796562041387769 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "La", "La", "Ga", "Ga", "Ga", "Sn", "Pd", "Pd", "Pd", "Pd" ]
2023-11-16 06:57:59
[ 0.3, 0.2, 0.4, 0.1 ]
[ [ 4.9360895, 0, 0 ], [ 0, 4.9360895, 0 ], [ 0, 0, 5.029049 ] ]
-51.947539
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.00194457 ], [ 0, 0, -0.00194457 ], [ 0, 0, 0 ], [ 0, 0, 0.00118712 ], [ 0, 0, -0.00118712 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00066151 ], [ 0, 0, 0.00066151 ] ]
0.000005
6.103296
pbe
true
0a4f357284617e9dbc5edc36626f457e_115_La2Ga3Sn1Pd4
[ "Ga", "Li", "Os", "W" ]
5
A2BCD
GaLiOs2W
Li1 Ga1 Os2 W1
4
[ 1, 1, 1 ]
3
[ [ 4.21678128, 0, 0 ], [ 0, 3.94557507, 0 ], [ 0, 0, 4.21678128 ] ]
agm001480203
[ [ 0, 0, 2.10839064 ], [ 2.10839064, 0, 0 ], [ 0, 1.972787535, 0 ], [ 2.10839064, 1.972787535, 2.10839064 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Os", "Os", "Ga", "W", "Li" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 4.1506557, 0, 0 ], [ 0, 6.2434907, 0 ], [ 0, 0, 4.1506557 ] ]
-34.737742
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
6.147539
pbe
true
2887bbac1ea5eabaa4ca9dd34281fbd2_123_Li1Ga1Os2W1
[ "Ga", "Li", "Pm", "Pr" ]
7
A2B2C2D
Ga2Li2Pm2Pr
Li2 Pm2 Pr1 Ga2
4
[ 1, 1, 1 ]
3
[ [ 4.71933799, 0, 0 ], [ 2.35966899, 4.08706659, 0 ], [ 2.35966899, 1.36235553, 8.90028779 ] ]
agm004551708
[ [ 4.719337962423112, 2.7247110463764446, 1.7271838853345807 ], [ 4.719338007576888, 2.7247110736235554, 7.173103904665419 ], [ 2.3596713273413066, 1.3623568787319749, 5.511938616036186 ], [ 7.079004642658693, 4.087065241268025, 3.3883491739638134 ], [ 0, 0, 0 ], [ 7.079009337060507, 4.087067952355531, 6.964882383841393 ], [ 2.359666632939492, 1.3623541676444701, 1.9354054061586075 ] ]
[{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Li", "Li", "Pm", "Pm", "Pr", "Ga", "Ga" ]
2023-11-16 06:57:59
[ 0.2857142857142857, 0.2857142857142857, 0.2857142857142857, 0.14285714285714285 ]
[ [ 0.7110126, 0, 0 ], [ 0, 0.7110126, 0 ], [ 0, 0, 1.1864848 ] ]
-26.176844
[ 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.00115105 ], [ 0, 0, 0.00115105 ], [ 0, 0, -0.00348924 ], [ 0, 0, 0.00348924 ], [ 0, 0, 0 ], [ 0, 0, -0.0016401 ], [ 0, 0, 0.0016401 ] ]
0.000228
5.566153
pbe
true
009af610997e943a9c0920a704db09c6_166_Li2Pm2Pr1Ga2
[ "Ga", "Lu", "Ni", "Ta" ]
4
ABCD
GaLuNiTa
Ga1 Lu1 Ni1 Ta1
4
[ 1, 1, 1 ]
3
[ [ 0, 3.285614, 3.285614 ], [ 3.285614, 0, 3.285614 ], [ 3.285614, 3.285614, 0 ] ]
oqmd-3300571
[ [ 0, 0, 0 ], [ 1.6427999999999972, 1.6427999999999972, 1.6427999999999972 ], [ 4.928419999999998, 4.928419999999998, 4.928419999999998 ], [ 3.285610000000001, 3.285610000000001, 3.285610000000001 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}]
[ "Ga", "Lu", "Ni", "Ta" ]
2024-11-01 00:00:00
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 7.89977, 0, 0 ], [ 0, 7.89977, 0 ], [ 0, 0, 7.89977 ] ]
-23.7349
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.90429
null
pbe
true
8c0d59b60ca2aad571ddb61ef1d0a664_216_Lu1Ta1Ga1Ni1
[ "Ga", "Mg", "Pa", "Re" ]
4
ABCD
GaMgPaRe
Mg1 Pa1 Ga1 Re1
4
[ 1, 1, 1 ]
3
[ [ 4.77760925, 0, 0 ], [ 2.38880463, 4.13753098, 0 ], [ 2.38880463, 1.37917699, 3.90090162 ] ]
agm001363611
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[{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"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"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Re", "Mg", "Pa", "Ga" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.8555067, 0, 0 ], [ 0, 2.8555067, 0 ], [ 0, 0, 2.8555067 ] ]
-26.204365
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000298
4.003821
pbe
true
bfbd5ec800f2bf569239eef92592d6e9_216_Mg1Pa1Ga1Re1
[ "Ga", "Mn", "O", "Os" ]
12
A8B2CD
Ga2MnO8Os
Mn1 Ga2 Os1 O8
4
[ 1, 1, 1 ]
3
[ [ 4.57973743, -0.08904873, -0.00263653 ], [ -0.07577235, 4.57976628, -0.00502881 ], [ 0.00365032, 0.00673922, 6.03410752 ] ]
agm004901495
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Mn", "Ga", "Ga", "Os", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.08333333333333333, 0.6666666666666666, 0.08333333333333333 ]
[ [ 1.2311615, -0.4081263, 0.00034656 ], [ -0.4081287, 1.2362897, 0.00003655 ], [ 0.00034656, 0.00003654, 1.040886 ] ]
-80.831278
[ -3.273, 0.003, 0.003, 0.318, 0.084, -0.009, 0.084, 0.084, -0.009, 0.084, 0.013, 0.013 ]
[ [ 0, 0, 0 ], [ -3.3e-7, -6.1e-7, -0.00054844 ], [ 3.3e-7, 6.1e-7, 0.00054844 ], [ 0, 0, 0 ], [ 0.00012918, 0.00008603, 0.0026422 ], [ 0.0001521, -0.00004483, -4e-8 ], [ -0.00012598, -0.00008013, 0.00264254 ], [ -0.00012918, -0.00008603, -0.0026422 ], [ -0.0001521, 0.00004483, 4e-8 ], [ 0.00012598, 0.00008013, -0.00264254 ], [ 0.00091126, 0.00066737, -0.00000128 ], [ -0.00091126, -0.00066737, 0.00000128 ] ]
-2.629805
2.468728
pbe
true
390ac68b26305b3825d151f68a73e594_65_Mn1Ga2Os1O8
[ "Ga", "Mn", "S", "Si" ]
4
ABCD
GaMnSSi
Mn1 Ga1 Si1 S1
4
[ 1, 1, 1 ]
3
[ [ 2.85494497, -0.00023446, -0.00172521 ], [ 1.05038284, 4.12638933, -0.00105816 ], [ 0.5073265, 2.02714633, 5.23811491 ] ]
agm002024106
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "S", "Mn", "Si", "Ga" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 3.566019, 0.0342157, -0.07822639 ], [ 0.03421569, 3.6278145, -0.02625562 ], [ -0.07822661, -0.02625541, 3.6970959 ] ]
-22.253689
[ 0, 0, 0, 0 ]
[ [ -0.00420496, -0.00178916, -0.00372205 ], [ 0.00036542, 0.00199373, 0.00347786 ], [ 0.0037386, -0.00118735, 0.00014764 ], [ 0.00010094, 0.00098279, 0.00009656 ] ]
0.000002
0.484572
pbe
true
c2210f375bd713b57145cb82d136a82a_1_Mn1Ga1Si1S1
[ "Ga", "Mo", "Nb", "Pa" ]
4
ABCD
GaMoNbPa
Pa1 Nb1 Ga1 Mo1
4
[ 1, 1, 1 ]
3
[ [ 4.6913065, 0, 0 ], [ 2.34565325, 4.06279061, 0 ], [ 2.34565325, 1.35426354, 3.83043572 ] ]
agm001918016
[ [ 4.6913065, 2.708527075, 1.91521786 ], [ 2.34565325, 1.3542635375, 0.95760893 ], [ 0, 0, 0 ], [ 7.036959749999999, 4.062790612500001, 2.87282679 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Mo", "Pa", "Nb", "Ga" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.371811, 0, 0 ], [ 0, 2.371811, 0 ], [ 0, 0, 2.371811 ] ]
-33.586946
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000026
4.529103
pbe
true
af56a98df4805983ff61d7916d30af9b_216_Pa1Nb1Ga1Mo1
[ "Ga", "Mo", "N", "V" ]
5
A2BCD
GaMoN2V
V1 Ga1 Mo1 N2
4
[ 1, 1, 1 ]
3
[ [ 3.78924806, 0, 0 ], [ 0, 4.72647822, 0 ], [ 0, 0, 3.78924806 ] ]
agm001517000
[ [ 1.89462403, 2.36323911, 1.89462403 ], [ 0, 0, 1.89462403 ], [ 1.89462403, 0, 0 ], [ 0, 0, 0 ], [ 0, 2.36323911, 0 ] ]
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"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"]}]
[ "Mo", "N", "N", "Ga", "V" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 2.3999264, 0, 0 ], [ 0, 0.43126008, 0 ], [ 0, 0, 2.3999264 ] ]
-30.146216
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000407
6.360544
pbe
true
da391291817b385b5ae15a36c1ba048c_123_V1Ga1Mo1N2
[ "Ga", "N", "Se", "Sn" ]
5
A2BCD
GaN2SeSn
Ga1 Sn1 Se1 N2
4
[ 1, 1, 1 ]
3
[ [ 4.11961611, 0, 0 ], [ 0, 4.11961611, 0 ], [ 0, 0, 5.7695165 ] ]
agm001734012
[ [ 2.059808055, 2.059808055, 2.88475825 ], [ 0, 0, 0 ], [ 0, 0, 2.88475825 ], [ 0, 2.059808055, 0 ], [ 2.059808055, 0, 0 ] ]
[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ga", "Sn", "Se", "N", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 0.14566351, 0, 0 ], [ 0, 0.14566351, 0 ], [ 0, 0, 0.1723931 ] ]
-21.638731
[ -0.026, -0.054, 0.06, 0.765, 0.765 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.168937
2.773956
pbe
true
9be0fe955f82e25b9c12a363863bd4aa_123_Ga1Sn1Se1N2
[ "Ga", "N", "O", "Pd" ]
5
A2BCD
GaN2OPd
Ga1 Pd1 N2 O1
4
[ 1, 1, 1 ]
3
[ [ 3.90875075, 0, 0 ], [ 0, 3.90875075, 0 ], [ 0, 0, 3.77430544 ] ]
agm001726361
[ [ 0, 0, 1.88715272 ], [ 0, 0, 0 ], [ 1.954375375, 1.954375375, 1.88715272 ], [ 0, 1.954375375, 0 ], [ 1.954375375, 0, 0 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "O", "Ga", "Pd", "N", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 0.806334, 0, 0 ], [ 0, 0.806334, 0 ], [ 0, 0, 0.6410093 ] ]
-24.140671
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.001614
5.124037
pbe
true
e94850a4b90109077a26e7016ce101fa_123_Ga1Pd1N2O1
[ "Ga", "Na", "Pm", "Pt" ]
6
A2B2CD
Ga2NaPmPt2
Na1 Pm1 Ga2 Pt2
4
[ 1, 1, 1 ]
3
[ [ 4.45435197, 0, 0 ], [ -2.22717599, 3.85758197, 0 ], [ 0, 0, 6.84965076 ] ]
agm004752101
[ [ 0, 0, 3.42482538 ], [ 0, 0, 0 ], [ 2.2271760056050933, 1.28586064380806, 4.784270566092146 ], [ -2.560509331158508e-8, 2.57172132619194, 2.065380193907855 ], [ 2.2271760056050933, 1.28586064380806, 1.8472747788485642 ], [ -2.560509331158508e-8, 2.57172132619194, 5.002375981151436 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Na", "Pm", "Ga", "Ga", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.16666666666666666, 0.16666666666666666, 0.3333333333333333 ]
[ [ 3.8429115, 0, 0 ], [ 0, 3.8429115, 0 ], [ 0, 0, 3.398049 ] ]
-28.606405
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00022282 ], [ 0, 0, -0.00022282 ], [ 0, 0, 0.00047559 ], [ 0, 0, -0.00047559 ] ]
-0.000023
4.324672
pbe
true
2e5e58774134fdb5a4ca712acf3566e6_164_Na1Pm1Ga2Pt2
[ "Ga", "Na", "Te", "Th" ]
18
A5B2CD
GaNa2Te5Th
Na4 Th2 Ga2 Te10
4
[ 1, 1, 1 ]
3
[ [ 4.17691238, 0, 0 ], [ -2.08845619, 10.68687592, 0 ], [ 0, 0, 14.2105037 ] ]
agm005160117
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[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Na", "Na", "Na", "Na", "Th", "Th", "Ga", "Ga", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.2222222222222222, 0.5555555555555556, 0.1111111111111111 ]
[ [ 0.5876935, 0, 0 ], [ 0, 0.55411917, 0 ], [ 0, 0, 0.5801565 ] ]
-70.782634
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00317368, 0.00457622 ], [ 0, -0.00164108, -0.00901464 ], [ 0, 0.00317368, 0.00457622 ], [ 0, 0.00164108, -0.00901464 ], [ 0, 0.00127119, -0.00174795 ], [ 0, -0.00127119, -0.00174795 ], [ 0, -0.00349786, -0.00206769 ], [ 0, 0.00349786, -0.00206769 ], [ 0, 0.00369394, 0.00267242 ], [ 0, -0.00195367, -0.00034184 ], [ 0, -0.00203873, 0.00222442 ], [ 0, 0.00048551, 0.00200226 ], [ 0, -0.0020133, 0.00169681 ], [ 0, -0.00369394, 0.00267242 ], [ 0, 0.00195367, -0.00034184 ], [ 0, 0.00203873, 0.00222442 ], [ 0, -0.00048551, 0.00200226 ], [ 0, 0.0020133, 0.00169681 ] ]
0
13.338443
pbe
true
648999826cb685da34f15f7b27087dc3_36_Na4Th2Ga2Te10
[ "Ga", "Nd", "P", "Se" ]
12
A6B3C2D
GaNd6P2Se3
Nd6 Ga1 P2 Se3
4
[ 1, 1, 1 ]
3
[ [ 4.17864769, 0, 0 ], [ 0, 8.56106141, 0.26404324 ], [ -2.08932384, -2.51184711, 8.91711708 ] ]
agm004604540
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[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Ga", "P", "P", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.08333333333333333, 0.5, 0.16666666666666666, 0.25 ]
[ [ 0.6005337, 0, 0 ], [ 0, 0.56852776, 0.02073977 ], [ 0, 0.0207398, 0.6275621 ] ]
-71.767665
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.0043179, 0.00447433 ], [ 0, 0.00070072, 0.00166843 ], [ 0, 0.0043179, -0.00447433 ], [ 0, -0.00419199, -0.00026168 ], [ 0, 0.00419199, 0.00026168 ], [ 0, -0.00070072, -0.00166843 ], [ 0, 0, 0 ], [ 0, -0.00324564, 0.00134294 ], [ 0, 0.00324564, -0.00134294 ], [ 0, 0, 0 ], [ 0, -0.00343113, -0.0001457 ], [ 0, 0.00343113, 0.0001457 ] ]
-0.000002
3.665653
pbe
true
f9f1795c312652264fd2ac0bae0cfb01_12_Nd6Ga1P2Se3
[ "Ga", "Ni", "Pm", "Pr" ]
4
ABCD
GaNiPmPr
Pr1 Pm1 Ga1 Ni1
4
[ 1, 1, 1 ]
3
[ [ 5.11653236, 0, 0 ], [ 2.55826618, 4.431047, 0 ], [ 2.55826618, 1.47701567, 4.17763118 ] ]
agm001355775
[ [ 0, 0, 0 ], [ 2.55826618, 1.4770156675000001, 1.044407795 ], [ 7.67479854, 4.431047002500001, 3.133223385 ], [ 5.11653236, 2.9540313350000003, 2.08881559 ] ]
[{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Pr", "Ni", "Ga", "Pm" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ -1.4982375, 0, 0 ], [ 0, -1.4982375, 0 ], [ 0, 0, -1.4982375 ] ]
-19.638573
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000321
3.998336
pbe
true
315a5ac5cd25818759891aa039cc5ad1_216_Pr1Pm1Ga1Ni1
[ "Ga", "Ni", "Sn", "Te" ]
5
A2BCD
GaNiSn2Te
Ga1 Ni1 Sn2 Te1
4
[ 1, 1, 1 ]
3
[ [ 5.10053437, 0, 0 ], [ 0, 5.10053437, 0 ], [ 0, 0, 4.65241264 ] ]
agm001663929
[ [ 0, 0, 0 ], [ 2.550267185, 2.550267185, 2.32620632 ], [ 0, 2.550267185, 0 ], [ 2.550267185, 0, 0 ], [ 0, 0, 2.32620632 ] ]
[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ni", "Te", "Sn", "Sn", "Ga" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ -1.4202679, 0, 0 ], [ 0, -1.4202679, 0 ], [ 0, 0, -1.6650518 ] ]
-20.682389
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000001
1.995752
pbe
true
448ba5dce8db417fb37abdf80afe4af8_123_Ga1Ni1Sn2Te1
[ "Ga", "O", "Pa", "Sm" ]
9
A6BCD
GaO6PaSm
Sm1 Pa1 Ga1 O6
4
[ 1, 1, 1 ]
3
[ [ 4.80804087, 0, 0 ], [ 0, 5.48512829, 0 ], [ 0, -2.74256414, 4.75026044 ] ]
agm005079359
[ [ 2.404020435, 2.742564174092308, 1.5834201308324651 ], [ 0, -2.4092308223242155e-8, 3.166840309167535 ], [ 2.404020435, 0, 0 ], [ 3.5525827873747757, 1.7882402189189728, 3.359934405834765 ], [ 3.5525827873747757, -1.0613445096527785, 4.618954690969607 ], [ 3.5525827873747757, -0.7268956992661938, 1.5216317831956268 ], [ 1.2554580826252246, 0.7268957024694535, 1.5216317831956268 ], [ 1.2554580826252246, 1.061344519376361, 4.618954690969607 ], [ 1.2554580826252246, -1.788240211845814, 3.359934405834765 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Sm", "Pa", "Ga", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.6666666666666666, 0.1111111111111111, 0.1111111111111111 ]
[ [ 1.2029506, 0, 0 ], [ 0, 0.79245806, 0 ], [ 0, 0, 0.79245806 ] ]
-70.889769
[ -0.004, -0.019, -0.006, 0.098, 0.098, 0.098, 0.098, 0.098, 0.098 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00038774, -0.0005005, -0.00019541 ], [ -0.00038774, 0.00041948, -0.00033574 ], [ -0.00038774, 0.00008102, 0.00053115 ], [ 0.00038774, -0.00008102, 0.00053115 ], [ 0.00038774, -0.00041948, -0.00033574 ], [ 0.00038774, 0.0005005, -0.00019541 ] ]
0.677727
6.708036
pbe
true
e7dc6531d93a6061e4196f059d7ae824_149_Sm1Pa1Ga1O6
[ "Ga", "O", "Pa", "Y" ]
18
A6BCD
GaO6PaY
Y2 Pa2 Ga2 O12
4
[ 1, 1, 1 ]
3
[ [ 4.98633491, 0, 0 ], [ 0, 4.98633491, 0 ], [ 0, 0, 10.04635694 ] ]
agm005076595
[ [ 2.493167455, 2.493167455, 5.047195089973626 ], [ 0, 0, 0.0240166199736252 ], [ 2.493167455, 2.493167455, 1.6733349754354079 ], [ 0, 0, 6.696513445435409 ], [ 2.493167455, 2.493167455, 8.382813646356164 ], [ 0, 0, 3.3596351763561634 ], [ 0.9100702952052917, 4.076264614794708, 4.923038694684177 ], [ 4.076264614794708, 0.9100702952052917, 4.923038694684177 ], [ 1.5830971597947083, 1.5830971597947083, 9.946217164684176 ], [ 3.403237750205292, 3.403237750205292, 9.946217164684176 ], [ 0.9617337610711508, 4.024601148928849, 1.838892407674597 ], [ 4.024601148928849, 0.9617337610711508, 1.838892407674597 ], [ 1.5314336939288493, 1.5314336939288493, 6.862070877674598 ], [ 3.454901216071151, 3.454901216071151, 6.862070877674598 ], [ 3.9402757932287154, 1.0460591167712847, 8.290705129705314 ], [ 1.0460591167712847, 3.9402757932287154, 8.290705129705314 ], [ 3.5392265717712847, 3.5392265717712847, 3.2675266597053145 ], [ 1.4471083382287153, 1.4471083382287153, 3.2675266597053145 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"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", "Y", "Pa", "Pa", "Ga", "Ga", "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 ]
[ [ 1.355274, 0, 0 ], [ 0, 1.355274, 0 ], [ 0, 0, 1.0432941 ] ]
-146.340209
[ -0.007, -0.007, 0.016, 0.016, -0.005, -0.005, 0.098, 0.098, 0.098, 0.098, 0.115, 0.115, 0.115, 0.115, 0.126, 0.126, 0.126, 0.126 ]
[ [ 0, 0, 0.00011886 ], [ 0, 0, 0.00011886 ], [ 0, 0, -0.00109268 ], [ 0, 0, -0.00109268 ], [ 0, 0, -0.00600681 ], [ 0, 0, -0.00600681 ], [ -0.00021388, 0.00021388, 0.00032504 ], [ 0.00021388, -0.00021388, 0.00032504 ], [ 0.00021388, 0.00021388, 0.00032504 ], [ -0.00021388, -0.00021388, 0.00032504 ], [ 0.00191452, -0.00191452, 0.00146838 ], [ -0.00191452, 0.00191452, 0.00146838 ], [ -0.00191452, -0.00191452, 0.00146838 ], [ 0.00191452, 0.00191452, 0.00146838 ], [ 0.00273033, -0.00273033, 0.0016969 ], [ -0.00273033, 0.00273033, 0.0016969 ], [ -0.00273033, -0.00273033, 0.0016969 ], [ 0.00273033, 0.00273033, 0.0016969 ] ]
1.609264
16.396152
pbe
true
438e38551b3c43a5d3bd6354ec19470a_102_Y2Pa2Ga2O12
[ "Ga", "Os", "P", "S" ]
5
A2BCD
GaOsP2S
Ga1 P2 Os1 S1
4
[ 1, 1, 1 ]
3
[ [ 3.65603618, -0.00239461, -0.00357073 ], [ 1.37392595, 3.45677001, 0.00088642 ], [ 1.38849595, 0.59322006, 6.87791338 ] ]
agm002120128
[ [ 1.315829233063396, 1.0329508811144839, 0.8955826806496434 ], [ 2.0113247931041056, 1.3547394857947321, 3.590235255069803 ], [ 4.661425025673574, 3.1991205445398503, 1.9661569652373614 ], [ 5.2466588516855435, 3.5812092408974143, 4.263707564487883 ], [ 4.325282264774781, 1.8526308468141202, 5.985430756451108 ] ]
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ga", "P", "P", "Os", "S" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 2.109376, 0.07302301, 0.05913691 ], [ 0.07302284, 1.8024446, -0.05143362 ], [ 0.05913685, -0.05143378, 2.0073166 ] ]
-29.132317
[ 0, 0, 0, 0, 0 ]
[ [ 0.00254699, 0.00216202, 0.00176502 ], [ 0.00503452, 0.00190431, -0.00332266 ], [ -0.00002895, -0.00193952, 0.00225021 ], [ -0.00401185, -0.00112435, 0.00230797 ], [ -0.00354071, -0.00100246, -0.00300054 ] ]
-0.000008
2.053745
pbe
true
10b52c1eefa4a34ad9f308cc994aed7b_1_Ga1P2Os1S1
[ "Ga", "Pb", "Pd", "Sm" ]
4
ABCD
GaPbPdSm
Sm1 Ga1 Pd1 Pb1
4
[ 1, 1, 1 ]
3
[ [ 5.0188996, 0, 0 ], [ 2.5094498, 4.34649456, 0 ], [ 2.5094498, 1.44883152, 4.09791437 ] ]
agm001917987
[ [ 2.5094498, 1.44883152, 1.0244785925 ], [ 0, 0, 0 ], [ 5.0188996, 2.89766304, 2.048957185 ], [ 7.5283494, 4.34649456, 3.0734357775 ] ]
[{"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Pb", "Ga", "Pd", "Sm" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 4.3227015, 0, 0 ], [ 0, 4.3227015, 0 ], [ 0, 0, 4.3227015 ] ]
-18.66797
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
0.694007
pbe
true
b1cd5a1d949f2b99b0a4b827c39a3f7b_216_Sm1Ga1Pd1Pb1
[ "Ga", "Pd", "Pu", "Zn" ]
4
ABCD
GaPdPuZn
Pu1 Zn1 Ga1 Pd1
4
[ 1, 1, 1 ]
3
[ [ 4.75234462, 0, 0 ], [ 2.37617231, 4.11565116, 0 ], [ 2.37617231, 1.37188372, 3.88027313 ] ]
agm001360016
[ [ 7.12851693, 4.11565116, 2.9102048475 ], [ 4.75234462, 2.74376744, 1.940136565 ], [ 0, 0, 0 ], [ 2.37617231, 1.37188372, 0.9700682825 ] ]
[{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Zn", "Ga", "Pd", "Pu" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 5.059467, 0, 0 ], [ 0, 5.059467, 0 ], [ 0, 0, 5.059467 ] ]
-24.960817
[ -0.014, 0.001, -0.064, 5.075 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
5.135161
8.490976
pbe
true
e9eaa3801482adaaa48291d68052fac3_216_Pu1Zn1Ga1Pd1
[ "Ga", "Sb", "Tc", "Te" ]
5
A2BCD
GaSb2TcTe
Ga1 Tc1 Sb2 Te1
4
[ 1, 1, 1 ]
3
[ [ 5.23323869, 0, 0 ], [ 0, 5.23323869, 0 ], [ 0, 0, 5.33690342 ] ]
agm001783946
[ [ 0, 2.616619345, 0 ], [ 2.616619345, 0, 0 ], [ 0, 0, 2.66845171 ], [ 2.616619345, 2.616619345, 2.66845171 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Sb", "Sb", "Te", "Tc", "Ga" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 1.1221775, 0, 0 ], [ 0, 1.1221775, 0 ], [ 0, 0, 1.1697112 ] ]
-18.766701
[ -0.122, -0.122, -0.049, 3.427, -0.009 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.36357
5.135235
pbe
true
2f5731f4d03c7b516a232a778e9c50a7_123_Ga1Tc1Sb2Te1
[ "Gd", "Hg", "Ho", "Tl" ]
4
ABCD
GdHgHoTl
Gd1 Ho1 Tl1 Hg1
4
[ 1, 1, 1 ]
3
[ [ 5.32469105, 0, 0 ], [ 2.66234553, 4.61131772, 0 ], [ 2.66234553, 1.53710591, 4.34759204 ] ]
agm001921408
[ [ 0, 0, 0 ], [ 7.9870365825, 4.6113177225, 3.2606940300000002 ], [ 5.324691055, 3.074211815, 2.17379602 ], [ 2.6623455275, 1.5371059075, 1.08689801 ] ]
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}]
[ "Tl", "Gd", "Hg", "Ho" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 4.090984, 0, 0 ], [ 0, 4.090984, 0 ], [ 0, 0, 4.090984 ] ]
-23.043591
[ -0.009, 7.226, 0.028, 0.263 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
7.923643
4.460358
pbe
true
22307c6c5381834a4131337c08fbcbb7_216_Gd1Ho1Tl1Hg1
[ "Gd", "In", "Ru", "Y" ]
4
ABCD
GdInRuY
Gd1 Y1 In1 Ru1
4
[ 1, 1, 1 ]
3
[ [ 5.09068578, 0, 0 ], [ 2.54534289, 4.4086632, 0 ], [ 2.54534289, 1.4695544, 4.15652753 ] ]
agm001308339
[ [ 7.636028670000001, 4.4086632, 3.1173956475 ], [ 0, 0, 0 ], [ 2.54534289, 1.4695544, 1.0391318825 ], [ 5.09068578, 2.9391088, 2.078263765 ] ]
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Ru", "Gd", "In" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 4.0926795, 0, 0 ], [ 0, 4.0926795, 0 ], [ 0, 0, 4.0926795 ] ]
-33.832625
[ 0.007, -0.117, 7.028, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
7.063236
2.630655
pbe
true
2adf6fe47cc66748f2353d7fbdbd6f91_216_Gd1Y1In1Ru1
[ "Gd", "Ir", "Pm", "Zn" ]
4
ABCD
GdIrPmZn
Pm1 Gd1 Zn1 Ir1
4
[ 1, 1, 1 ]
3
[ [ 5.02126146, 0, 0 ], [ 2.51063073, 4.34853999, 0 ], [ 2.51063073, 1.44951333, 4.09984282 ] ]
agm001367995
[ [ 2.51063073, 1.44951333, 1.024960705 ], [ 5.02126146, 2.89902666, 2.04992141 ], [ 0, 0, 0 ], [ 7.53189219, 4.34853999, 3.0748821150000003 ] ]
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Gd", "Zn", "Ir", "Pm" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 1.6668264, 0, 0 ], [ 0, 1.6668264, 0 ], [ 0, 0, 1.6668264 ] ]
-31.142157
[ 6.985, -0.005, -0.05, -0.002 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
7.025114
2.411027
pbe
true
4a2c1415422cfcf9fe40aa12e805e92e_216_Pm1Gd1Zn1Ir1
[ "Gd", "Li", "Nd", "Sn" ]
4
ABCD
GdLiNdSn
Li1 Nd1 Gd1 Sn1
4
[ 1, 1, 1 ]
3
[ [ 5.33656971, 0, 0 ], [ 2.66828486, 4.62160494, 0 ], [ 2.66828486, 1.54053498, 4.35729092 ] ]
agm001915252
[ [ 8.004854572500001, 4.62160494, 3.2679681899999995 ], [ 2.6682848574999998, 1.54053498, 1.08932273 ], [ 5.3365697149999995, 3.08106996, 2.17864546 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}]
[ "Gd", "Nd", "Sn", "Li" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 1.5165391, 0, 0 ], [ 0, 1.5165391, 0 ], [ 0, 0, 1.5165391 ] ]
-26.491301
[ 7.178, 0.107, -0.049, 0.008 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
7.614615
5.351483
pbe
true
deea69a01f25564c778ef87ac956fa66_216_Li1Nd1Gd1Sn1
[ "Gd", "Mg", "Pa", "Pm" ]
4
ABCD
GdMgPaPm
Pm1 Gd1 Mg1 Pa1
4
[ 1, 1, 1 ]
3
[ [ 5.44723376, 0, 0 ], [ 2.72361688, 4.71744282, 0 ], [ 2.72361688, 1.57248094, 4.44764774 ] ]
agm001401815
[ [ 8.17085064, 4.71744282, 3.3357358049999997 ], [ 0, 0, 0 ], [ 5.44723376, 3.14496188, 2.22382387 ], [ 2.72361688, 1.57248094, 1.111911935 ] ]
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "Gd", "Mg", "Pa", "Pm" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 1.4923582, 0, 0 ], [ 0, 1.4923582, 0 ], [ 0, 0, 1.4923582 ] ]
-28.589103
[ 7.268, -0.006, 0.916, 0.078 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
8.811245
8.512486
pbe
true
ab13d4a70a4674cacb96f522999281be_216_Pm1Gd1Mg1Pa1
[ "Gd", "Na", "O", "Si" ]
28
A4BCD
GdNaO4Si
Gd4 Na4 O16 Si4
4
[ 1, 1, 1 ]
3
[ [ 5.11578703, -5.8e-7, 1.68273411 ], [ 2.5578923, 8.34886463, 0.84136736 ], [ -0.05078598, 8.5e-7, 8.77219767 ] ]
mp-18515
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[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Na", "Na", "Na", "Na", "Gd", "Gd", "Gd", "Gd", "Si", "Si", "Si", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2019-10-23 13:09:30
[ 0.14285714285714285, 0.14285714285714285, 0.5714285714285714, 0.14285714285714285 ]
[ [ 0.40886691, -0.02354009, 0.01700534 ], [ -0.02354004, 0.29486828, 0.00102079 ], [ 0.01700521, 0.0010211, 0.32019463 ] ]
-243.719228
[ 0, 0, 0, 0, 6.893, 6.893, 6.893, 6.893, 0.001, 0.001, 0.001, 0.001, -0.001, -0.001, -0.001, -0.001, -0.001, -0.001, -0.001, -0.001, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00016203, 0.00273797, 0.00223358 ], [ -0.00001453, -0.00177996, 0.00204865 ], [ 0.00001453, 0.00177996, -0.00204865 ], [ -0.00016203, -0.00273797, -0.00223358 ], [ 0.00075242, -0.00407903, -0.00188615 ], [ 0.00134499, 0.00189309, -0.00250001 ], [ -0.00134499, -0.00189309, 0.00250001 ], [ -0.00075242, 0.00407903, 0.00188615 ], [ 0.00215323, -0.00654805, -0.00361165 ], [ 0.00081357, 0.00593097, -0.0038825 ], [ -0.00081357, -0.00593097, 0.0038825 ], [ -0.00215323, 0.00654805, 0.00361165 ], [ 0.01228691, 0.00527397, 0.01802976 ], [ 0.01518052, -0.01399458, 0.01047346 ], [ 0.01820552, 0.01383115, 0.00006987 ], [ 0.02248736, -0.00669425, -0.00787041 ], [ -0.01228691, -0.00527397, -0.01802976 ], [ -0.01518052, 0.01399458, -0.01047346 ], [ -0.01820552, -0.01383115, -0.00006987 ], [ -0.02248736, 0.00669425, 0.00787041 ], [ -0.00107465, 0.02983279, 0.00847088 ], [ -0.00817175, -0.00944759, 0.02863366 ], [ 0.00817175, 0.00944759, -0.02863366 ], [ 0.00107465, -0.02983279, -0.00847088 ], [ -0.00676366, -0.02706869, 0.02049866 ], [ 0.00759999, -0.02121582, -0.02593294 ], [ -0.00759999, 0.02121582, 0.02593294 ], [ 0.00676366, 0.02706869, -0.02049866 ] ]
27.568
2.545214
pbe
true
12f9ec32a6678f1a7a17651fb074d8ed_87_Na4Gd4Si4O16
[ "Gd", "Nd", "Sm", "Zn" ]
4
ABCD
GdNdSmZn
Nd1 Sm1 Gd1 Zn1
4
[ 1, 1, 1 ]
3
[ [ 5.43112876, 0, 0 ], [ 2.71556438, 4.70349548, 0 ], [ 2.71556438, 1.56783183, 4.43449807 ] ]
agm001372636
[ [ 0, 0, 0 ], [ 5.43112876, 3.135663655, 2.217249035 ], [ 2.71556438, 1.5678318275, 1.1086245175 ], [ 8.14669314, 4.7034954825, 3.3258735525 ] ]
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Zn", "Gd", "Nd", "Sm" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 1.3955512, 0, 0 ], [ 0, 1.3955512, 0 ], [ 0, 0, 1.3955512 ] ]
-24.720291
[ -0.023, 7.289, 0.081, 0.091 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
7.751436
6.06459
pbe
true
d1994035fe7da70b7bfeb578fdcb6122_216_Nd1Sm1Gd1Zn1
[ "Gd", "Pm", "Pr", "Sn" ]
4
ABCD
GdPmPrSn
Pr1 Pm1 Gd1 Sn1
4
[ 1, 1, 1 ]
3
[ [ 5.54698015, 0, 0 ], [ 2.77349007, 4.80382572, 0 ], [ 2.77349007, 1.60127524, 4.52909032 ] ]
agm001339468
[ [ 5.546980145, 3.20255048, 2.26454516 ], [ 0, 0, 0 ], [ 2.7734900725, 1.60127524, 1.13227258 ], [ 8.3204702175, 4.80382572, 3.39681774 ] ]
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "Pr", "Gd", "Sn", "Pm" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.2377315, 0, 0 ], [ 0, 2.2377315, 0 ], [ 0, 0, 2.2377315 ] ]
-28.644045
[ 0.102, 7.222, -0.031, 0.226 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
8.071922
5.147837
pbe
true
d502483f311f53860df688c3d68a8260_216_Pr1Pm1Gd1Sn1
[ "Gd", "Pr", "Sc", "Sn" ]
4
ABCD
GdPrScSn
Pr1 Gd1 Sc1 Sn1
4
[ 1, 1, 1 ]
3
[ [ 5.42178869, 0, 0 ], [ 2.71089435, 4.69540674, 0 ], [ 2.71089435, 1.56513558, 4.42687193 ] ]
agm001336703
[ [ 2.7108943475, 1.56513558, 1.1067179825 ], [ 0, 0, 0 ], [ 8.1326830425, 4.69540674, 3.3201539474999997 ], [ 5.421788695, 3.13027116, 2.213435965 ] ]
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "Pr", "Sc", "Gd", "Sn" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 3.1242673, 0, 0 ], [ 0, 3.1242673, 0 ], [ 0, 0, 3.1242673 ] ]
-30.2615
[ 0.088, 0.295, 7.212, -0.037 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
8.079807
5.159043
pbe
true
da4a7ef9c7f2e6a1f0d9962f7a9ba4b4_216_Pr1Gd1Sc1Sn1
[ "Ge", "Hf", "I", "Te" ]
5
A2BCD
GeHfITe2
Hf1 Ge1 Te2 I1
4
[ 1, 1, 1 ]
3
[ [ 5.59895131, 0, 0 ], [ 0, 5.59895131, 0 ], [ 0, 0, 5.59505614 ] ]
agm001799078
[ [ 0, 0, 2.79752807 ], [ 2.799475655, 2.799475655, 2.79752807 ], [ 0, 2.799475655, 0 ], [ 2.799475655, 0, 0 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "I", "Ge", "Te", "Te", "Hf" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.5162505, 0, 0 ], [ 0, 0.5162505, 0 ], [ 0, 0, 0.8472402 ] ]
-21.797661
[ 0.005, 0.411, -0.057, -0.057, 0.06 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.933783
2.514744
pbe
true
612cccb4d4fcfc62b1d45851a402146f_123_Hf1Ge1Te2I1
[ "Ge", "Hg", "N", "Pr" ]
14
A4BCD
GeHgNPr4
Pr8 Hg2 Ge2 N2
4
[ 1, 1, 1 ]
3
[ [ 7.00110959, 0, 0 ], [ 0, 6.99800336, 0 ], [ -3.50055479, 0, 7.88847957 ] ]
agm005056595
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"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", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Hg", "Hg", "Ge", "Ge", "N", "N" ]
2023-11-16 06:57:59
[ 0.14285714285714285, 0.14285714285714285, 0.14285714285714285, 0.5714285714285714 ]
[ [ 0.14470819, 0, 0 ], [ 0, 0.1530904, 0 ], [ 0, 0, 0.07451319 ] ]
-74.640665
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.0022744 ], [ 0, 0, -0.00206404 ], [ 0, 0, -0.0022744 ], [ 0, 0, 0.00206404 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00108933 ], [ 0, 0, -0.00108933 ], [ 0, 0, -0.00199378 ], [ 0, 0, 0.00199378 ], [ 0, 0, 0.00595823 ], [ 0, 0, -0.00595823 ] ]
0
7.889546
pbe
true
68dc1089cfd130134b5693b9a5ee431e_63_Pr8Hg2Ge2N2
[ "Ge", "Hg", "Na", "Pb" ]
4
ABCD
GeHgNaPb
Na1 Hg1 Ge1 Pb1
4
[ 1, 1, 1 ]
3
[ [ 5.21487649, 0, 0 ], [ 2.60743825, 4.51621552, 0 ], [ 2.60743825, 1.50540517, 4.25792883 ] ]
agm001288916
[ [ 0, 0, 0 ], [ 7.8223147425, 4.5162155175, 3.1934466224999998 ], [ 2.6074382474999998, 1.5054051725000002, 1.0644822075 ], [ 5.2148764949999995, 3.0108103450000003, 2.128964415 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}]
[ "Pb", "Na", "Ge", "Hg" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 3.3806238, 0, 0 ], [ 0, 3.3806238, 0 ], [ 0, 0, 3.3806238 ] ]
-9.814628
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000019
3.835104
pbe
true
97c9ab8a1824fd37a35d4176bff9faf9_216_Na1Hg1Ge1Pb1
[ "Ge", "Ho", "La", "S" ]
4
ABCD
GeHoLaS
La1 Ho1 Ge1 S1
4
[ 1, 1, 1 ]
3
[ [ 4.17147514, 0, 0 ], [ 2.08573756, 3.61260344, 0 ], [ 2.08573756, 1.20420115, 6.80952566 ] ]
agm005212633
[ [ 6.257212693879314, 3.612603443060343, 6.2518450517846444 ], [ 2.0857375847339537, 1.2042011601037226, 2.849877123496535 ], [ 6.25721267792629, 3.612603428566156, 1.2423993866673886 ], [ 4.171475128988843, 2.408402295505579, 4.437588169239833 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}]
[ "La", "Ho", "Ge", "S" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 0.66048646, 0, 0 ], [ 0, 0.6604865, 0 ], [ 0, 0, 0.69469446 ] ]
-24.048424
[ 0, 0, 0, 0 ]
[ [ 0, 0, -0.00075489 ], [ 0, 0, 0.00215929 ], [ 0, 0, 0.00021492 ], [ 0, 0, -0.00161932 ] ]
0
1.681844
pbe
true
40e4f056e20fe501af145b340d712f4a_160_La1Ho1Ge1S1
[ "Ge", "I", "O", "Rb" ]
5
A2BCD
GeI2ORb
Rb1 Ge1 I2 O1
4
[ 1, 1, 1 ]
3
[ [ 6.30602732, 0, 0 ], [ 0, 6.30602732, 0 ], [ 0, 0, 3.83664093 ] ]
agm001707357
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[ "I", "I", "Ge", "O", "Rb" ]
2023-11-16 06:57:59
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0
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pbe
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11566fd31b93048eaba6a5ee43626bde_123_Rb1Ge1I2O1
[ "Ge", "In", "Os", "Tl" ]
5
A2BCD
GeIn2OsTl
Tl1 In2 Ge1 Os1
4
[ 1, 1, 1 ]
3
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agm001667109
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[ "Tl", "Os", "Ge", "In", "In" ]
2023-11-16 06:57:59
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pbe
true
689b568726a4cb8bb21c9f29cb661065_123_Tl1In2Ge1Os1
[ "Ge", "Ir", "Li", "V" ]
4
ABCD
GeIrLiV
Li1 V1 Ge1 Ir1
4
[ 1, 1, 1 ]
3
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agm001288178
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[ "Ge", "Ir", "Li", "V" ]
2023-11-16 06:57:59
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1.006362
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pbe
true
a81406061feb27018d1a4a79947c6c31_216_Li1V1Ge1Ir1
[ "Ge", "K", "Mg", "Rb" ]
5
A2BCD
GeK2MgRb
K2 Rb1 Mg1 Ge1
4
[ 1, 1, 1 ]
3
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agm001649042
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[ "Mg", "Ge", "K", "K", "Rb" ]
2023-11-16 06:57:59
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2.786793
pbe
true
6089d1c9212f94897a885a47d7c4a181_123_K2Rb1Mg1Ge1
[ "Ge", "La", "Ni", "Pt" ]
10
A4B3C2D
Ge3La2Ni4Pt
La2 Ni4 Ge3 Pt1
4
[ 1, 1, 1 ]
3
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agm004506586
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[ "La", "La", "Ni", "Ni", "Ni", "Ni", "Ge", "Ge", "Ge", "Pt" ]
2023-11-16 06:57:59
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0.000003
6.650272
pbe
true
e801d39df72718fe5f32bdaa00bb3c22_115_La2Ni4Ge3Pt1
[ "Ge", "La", "P", "Pt" ]
10
A4B3C2D
GeLa2P3Pt4
La2 Ge1 P3 Pt4
4
[ 1, 1, 1 ]
3
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agm004507345
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[ "La", "La", "Ge", "P", "P", "P", "Pt", "Pt", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.1, 0.2, 0.3, 0.4 ]
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-64.992369
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-0.000008
4.394714
pbe
true
70d1fa0d1936b476f802f2b3289a6a6b_115_La2Ge1P3Pt4
[ "Ge", "Mg", "Pt", "Sm" ]
6
A2B2CD
Ge2MgPt2Sm
Sm1 Mg1 Ge2 Pt2
4
[ 1, 1, 1 ]
3
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agm004751499
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[ "Sm", "Mg", "Ge", "Ge", "Pt", "Pt" ]
2023-11-16 06:57:59
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0.000002
2.954592
pbe
true
fa65004268543a1ae8026367bcaa666c_164_Sm1Mg1Ge2Pt2
[ "Ge", "N", "O", "Re" ]
5
A2BCD
GeN2ORe
Re1 Ge1 N2 O1
4
[ 1, 1, 1 ]
3
[ [ 3.84911018, 0, 0 ], [ 0, 3.84911018, 0 ], [ 0, 0, 3.58739431 ] ]
agm001726437
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[ "Re", "Ge", "O", "N", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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-33.175674
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2.866413
2.13302
pbe
true
9df56f610944f6d42993b008de2057bf_123_Re1Ge1N2O1
[ "Ge", "Mn", "Pd", "Tl" ]
5
A2BCD
Ge2MnPdTl
Mn1 Tl1 Ge2 Pd1
4
[ 1, 1, 1 ]
3
[ [ 4.82635574, 0, 0 ], [ 0, 5.37547174, 0 ], [ 0, 0, 4.82635574 ] ]
agm001552179
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[ "Tl", "Mn", "Ge", "Ge", "Pd" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
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-23.105299
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4.376805
2.629252
pbe
true
686bf9993059b4b39a7aa4c222c5e0bb_123_Mn1Tl1Ge2Pd1
[ "Ge", "N", "S", "Se" ]
5
A2BCD
GeNSSe2
Ge1 Se2 S1 N1
4
[ 1, 1, 1 ]
3
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agm001796844
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[ "Ge", "S", "Se", "Se", "N" ]
2023-11-16 06:57:59
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0.034922
3.649611
pbe
true
10f0f68c4550d80c35b1258b180389f8_123_Ge1Se2S1N1
[ "Ge", "Nd", "Ni", "Zn" ]
20
A5B2C2D
GeNd2Ni5Zn2
Nd4 Zn4 Ni10 Ge2
4
[ 1, 1, 1 ]
3
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agm005129995
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[ "Nd", "Nd", "Nd", "Nd", "Zn", "Zn", "Zn", "Zn", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ge", "Ge" ]
2023-11-16 06:57:59
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0.000008
12.645891
pbe
true
288b03a5367cd34429391486299ce386_127_Nd4Zn4Ni10Ge2
[ "Ge", "Ni", "Pt", "Tl" ]
5
A2BCD
GeNi2PtTl
Tl1 Ni2 Ge1 Pt1
4
[ 1, 1, 1 ]
3
[ [ 4.30999735, 0, 0 ], [ 0, 5.29310185, 0 ], [ 0, 0, 4.30999735 ] ]
agm001507535
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[ "Ni", "Ni", "Tl", "Ge", "Pt" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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-0
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pbe
true
0eeee1d5ba36e8f1fbb9274e828b73c5_123_Tl1Ni2Ge1Pt1
[ "Ge", "O", "P", "Ru" ]
5
A2BCD
GeO2PRu
Ge1 P1 Ru1 O2
4
[ 1, 1, 1 ]
3
[ [ 3.45893495, 0, 0 ], [ 0, 3.45893495, 0 ], [ 0, 0, 7.02427672 ] ]
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2023-11-16 06:57:59
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pbe
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9206830a1cdc5d39d3d5fdbf35932194_123_Ge1P1Ru1O2
[ "Ge", "Pm", "Pt", "Ti" ]
10
A4B3C2D
Ge4Pm2Pt3Ti
Pm2 Ti1 Ge4 Pt3
4
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3
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agm004506099
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2023-11-16 06:57:59
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4.548688
pbe
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727fb9352a61311ef130151c07f28d21_115_Pm2Ti1Ge4Pt3
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7
A2B2C2D
Ge2PmTb2Zn2
Tb2 Pm1 Zn2 Ge2
4
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3
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agm004546465
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[ "Tb", "Tb", "Pm", "Zn", "Zn", "Ge", "Ge" ]
2023-11-16 06:57:59
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pbe
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0e92245df106bc1ac9a7746502f1d94a_166_Tb2Pm1Zn2Ge2
[ "Ge", "Ru", "Sc", "V" ]
20
A5B2C2D
GeRu5Sc2V2
Sc4 V4 Ge2 Ru10
4
[ 1, 1, 1 ]
3
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agm005129643
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2023-11-16 06:57:59
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pbe
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f67f0edaf64caa773efbacfcee0230d9_127_Sc4V4Ge2Ru10
[ "H", "Ho", "I", "La" ]
8
A4B2CD
H2HoI4La
H2 Ho1 I4 La1
4
[ 1, 1, 1 ]
3
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oqmd-6660905
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[ "H", "H", "Ho", "I", "I", "I", "I", "La" ]
2024-11-01 00:00:00
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0.001056
null
pbe
true
e1f1634239b063f448857d6304b05ad9_187_La1Ho1H2I4
[ "H", "Hg", "Pt", "Tl" ]
5
A2BCD
HHg2PtTl
Tl1 Hg2 H1 Pt1
4
[ 1, 1, 1 ]
3
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agm001651203
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[ "H", "Tl", "Hg", "Hg", "Pt" ]
2023-11-16 06:57:59
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0
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pbe
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9fe8eaf605717362dcfe5cf2ddc9ed5b_123_Tl1Hg2H1Pt1
[ "H", "Li", "Pm", "Tl" ]
5
A2BCD
HLiPm2Tl
Li1 Pm2 Tl1 H1
4
[ 1, 1, 1 ]
3
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agm005012565
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[ "Li", "Pm", "Pm", "Tl", "H" ]
2023-11-16 06:57:59
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3.856516
pbe
true
665d35441a4e94dd4f38301d99d891df_123_Li1Pm2Tl1H1
[ "H", "Li", "Tc", "Y" ]
5
A2BCD
HLiTcY2
Li1 Y2 Tc1 H1
4
[ 1, 1, 1 ]
3
[ [ 5.011499, 0, 0 ], [ 0, 5.011499, 0 ], [ 0, 0, 3.60883863 ] ]
agm001665926
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[ "Y", "Y", "H", "Tc", "Li" ]
2023-11-16 06:57:59
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0.000005
3.608823
pbe
true
f4b6be24dd7df516f8de08d13f7656df_123_Li1Y2Tc1H1
[ "H", "N", "Tb", "U" ]
10
A2BCD
HN2TbU
Tb2 U2 H2 N4
4
[ 1, 1, 1 ]
3
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agm004991315
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[ "Tb", "Tb", "U", "U", "H", "H", "N", "N", "N", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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1.867102
6.07423
pbe
true
a4243f1c2b3baa13e53fb2a6ee0bb437_129_Tb2U2H2N4
[ "H", "Ni", "Pd", "Pr" ]
10
A6B2CD
H6NiPdPr2
Pr2 Ni1 H6 Pd1
4
[ 1, 1, 1 ]
3
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agm004930261
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[ "Pr", "Pr", "Ni", "H", "H", "H", "H", "H", "H", "Pd" ]
2023-11-16 06:57:59
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0.000065
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pbe
true
029d76118154f6477cfcb9e05d79b3b0_69_Pr2Ni1H6Pd1
[ "H", "O", "Rb", "Rh" ]
5
A2BCD
HORbRh2
Rb1 H1 Rh2 O1
4
[ 1, 1, 1 ]
3
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agm001546521
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[ "H", "Rh", "Rh", "O", "Rb" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
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4.000755
5.388013
pbe
true
668951a0aa643d4a09aa317b18475b3c_123_Rb1H1Rh2O1
[ "H", "O", "Se", "Sr" ]
11
A6B2C2D
H6O2Se2Sr
Sr1 H6 Se2 O2
4
[ 1, 1, 1 ]
3
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agm004574850
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[ "Sr", "H", "H", "H", "H", "H", "H", "Se", "Se", "O", "O" ]
2023-11-16 06:57:59
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0
0
pbe
true
67af2f12b55738fedb31010e54ebb2fc_12_Sr1H6Se2O2
[ "H", "Os", "P", "V" ]
5
A2BCD
HOs2PV
V1 P1 Os2 H1
4
[ 1, 1, 1 ]
3
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agm001564297
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[ "P", "Os", "Os", "H", "V" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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-0.000006
4.503814
pbe
true
1097e0e190fa02b34a4d479bd31d06ca_123_V1P1Os2H1
[ "Hf", "K", "S", "Sc" ]
12
A6B3C2D
HfK3S6Sc2
K3 Hf1 Sc2 S6
4
[ 1, 1, 1 ]
3
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agm004642105
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[ "K", "K", "K", "Hf", "Sc", "Sc", "S", "S", "S", "S", "S", "S" ]
2023-11-16 06:57:59
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-70.622085
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-0.000106
3.94004
pbe
true
30e7ea1ae9245af3b0879f53537a377a_12_K3Hf1Sc2S6
[ "Hf", "Mg", "Mo", "Nb" ]
5
A2BCD
HfMgMo2Nb
Hf1 Mg1 Nb1 Mo2
4
[ 1, 1, 1 ]
3
[ [ 4.72431773, 0, 0 ], [ 0, 4.96785356, 0 ], [ 0, 0, 4.72431773 ] ]
agm001488539
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[ "Mg", "Mo", "Mo", "Hf", "Nb" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
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-34.193346
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0.000157
7.128042
pbe
true
6f08af72631a84e659d08a4c21dd88c6_123_Hf1Mg1Nb1Mo2