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{
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{
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{
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{
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"elements": [
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{
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"structure_string": "Pr4 V5 Si4 O22\n1.0\n2.855391 6.786830 0.000000\n-2.855391 6.786830 0.000000\n0.000000 2.030786 10.998240\nPr V Si O\n4 5 4 22\ndirect\n0.073328 0.073328 0.251140 Pr\n0.926672 0.926672 0.748860 Pr\n0.356252 0.356252 0.256358 Pr\n0.643748 0.643748 0.743642 Pr\n0.500000 0.500000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.861465 0.861465 0.457634 Si\n0.138535 0.138535 0.542366 Si\n0.703413 0.703413 0.270761 Si\n0.296587 0.296587 0.729239 Si\n0.778590 0.778590 0.368220 O\n0.221410 0.221410 0.631780 O\n0.305893 0.834551 0.587622 O\n0.165449 0.694107 0.412378 O\n0.694107 0.165449 0.412378 O\n0.834551 0.305893 0.587622 O\n0.187126 0.187126 0.400414 O\n0.812874 0.812874 0.599586 O\n0.588035 0.588035 0.337307 O\n0.411965 0.411965 0.662693 O\n0.511507 0.035252 0.811461 O\n0.964748 0.488493 0.188539 O\n0.488493 0.964748 0.188539 O\n0.650060 0.650060 0.982799 O\n0.349940 0.349940 0.017201 O\n0.857272 0.857272 0.976230 O\n0.142728 0.142728 0.023770 O\n0.035252 0.511507 0.811461 O\n0.736212 0.218466 0.130600 O\n0.218466 0.736212 0.130600 O\n0.263788 0.781534 0.869400 O\n0.781534 0.263788 0.869400 O\n",
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"formula_full": "Pr4 V5 Si4 O22",
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"updated_at": "2021-11-28T01:36:36.041000Z",
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},
{
"id": "mp-1031827",
"created_at": "2022-09-04T14:44:14.667016Z",
"structure_string": "Mg6 V1 Ni1 O8\n1.0\n8.518737 0.000000 0.000000\n0.000000 4.275356 0.000000\n0.000000 0.000000 4.275356\nMg V Ni O\n6 1 1 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.249966 0.000000 0.500000 Mg\n0.750034 0.000000 0.500000 Mg\n0.249966 0.500000 0.000000 Mg\n0.750034 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Ni\n0.249834 0.000000 0.000000 O\n0.750166 0.000000 0.000000 O\n0.255487 0.500000 0.500000 O\n0.744513 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"elements": [
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"chemical_system": "Mg-Ni-O-V",
"density": 4.089304980819067,
"density_atomic": 0.10275434743201443,
"volume": 155.7111732969363,
"volume_molar": 5.860716271868148,
"formula_full": "Mg6 V1 Ni1 O8",
"formula_reduced": "Mg6VNiO8",
"formula_anonymous": "ABC6D8",
"energy": -106.29161854,
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"spacegroup": 123
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{
"id": "mp-1233458",
"created_at": "2022-09-04T14:44:14.670008Z",
"structure_string": "Ca1 La4 Ga2 Fe2 O12\n1.0\n-6.508059 0.044887 0.001018\n0.019690 -0.167833 -6.335963\n0.060696 -7.314976 -0.279503\nCa La Ga Fe O\n1 4 2 2 12\ndirect\n0.207067 0.855756 0.703107 Ca\n0.381966 0.367782 0.726707 La\n0.864425 0.158226 0.780930 La\n0.567435 0.447715 0.235134 La\n0.084957 0.046632 0.250258 La\n0.029231 0.611331 0.019144 Ga\n0.580553 0.888692 0.478843 Ga\n0.965602 0.512976 0.483480 Fe\n0.500615 0.962244 0.017164 Fe\n0.532103 0.978329 0.715726 O\n0.032576 0.531586 0.774712 O\n0.475796 0.065476 0.280773 O\n0.962062 0.417621 0.212351 O\n0.687149 0.357697 0.534387 O\n0.197698 0.113164 0.939752 O\n0.321909 0.671876 0.021349 O\n0.863509 0.827713 0.468702 O\n0.365222 0.678142 0.476495 O\n0.849432 0.842042 0.040418 O\n0.623742 0.286972 0.966824 O\n0.133140 0.199456 0.540412 O\n",
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"formula_full": "Ca1 La4 Ga2 Fe2 O12",
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"updated_at": "2021-11-28T01:36:33.283000Z",
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]
}