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{
"id": "mp-1221523",
"created_at": "2022-09-04T14:42:22.923108Z",
"structure_string": "Mn2 Zn2 Se8\n1.0\n6.387442 0.000000 0.000000\n0.000000 6.391144 0.000000\n0.000000 0.018502 6.391194\nMn Zn Se\n2 2 8\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Zn\n0.891300 0.608633 0.890743 Se\n0.391300 0.891367 0.109257 Se\n0.109582 0.109461 0.609128 Se\n0.609582 0.390539 0.390872 Se\n0.108700 0.391367 0.109257 Se\n0.608700 0.108633 0.890743 Se\n0.890418 0.890539 0.390872 Se\n0.390418 0.609461 0.609128 Se\n",
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{
"id": "mp-569943",
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"structure_string": "K8 Ag4 I12\n1.0\n4.865380 0.000000 0.000000\n0.000000 10.225678 0.000000\n0.000000 0.000000 19.865796\nK Ag I\n8 4 12\ndirect\n0.750000 0.250489 0.036934 K\n0.250000 0.749511 0.963066 K\n0.750000 0.750489 0.463066 K\n0.250000 0.249511 0.536934 K\n0.750000 0.924067 0.713991 K\n0.250000 0.575933 0.213991 K\n0.750000 0.424067 0.786009 K\n0.250000 0.075933 0.286009 K\n0.250000 0.130452 0.864224 Ag\n0.250000 0.630452 0.635776 Ag\n0.750000 0.869548 0.135776 Ag\n0.750000 0.369548 0.364224 Ag\n0.750000 0.491832 0.599186 I\n0.250000 0.008168 0.099186 I\n0.250000 0.687590 0.777299 I\n0.750000 0.812410 0.277299 I\n0.250000 0.881170 0.571708 I\n0.750000 0.118830 0.428292 I\n0.250000 0.508168 0.400814 I\n0.750000 0.618830 0.071708 I\n0.250000 0.381170 0.928292 I\n0.750000 0.312410 0.222701 I\n0.250000 0.187590 0.722701 I\n0.750000 0.991832 0.900814 I\n",
"nsites": 24,
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"formula_full": "K8 Ag4 I12",
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"formula_anonymous": "AB2C3",
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"updated_at": "2021-11-28T01:35:46.240000Z",
"spacegroup": 62
},
{
"id": "mp-973143",
"created_at": "2022-09-04T14:42:22.930939Z",
"structure_string": "Sc1 Zn3\n1.0\n0.000000 3.193376 3.193376\n3.193376 0.000000 3.193376\n3.193376 3.193376 0.000000\nSc Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Zn\n",
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"density": 6.149155352913407,
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"volume_molar": 9.805530112456111,
"formula_full": "Sc1 Zn3",
"formula_reduced": "ScZn3",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "mp-644494",
"created_at": "2022-09-04T14:42:22.934300Z",
"structure_string": "Rb4 H8 Pd2\n1.0\n5.935145 0.000000 0.000000\n0.000000 5.935145 0.000000\n0.000000 0.000000 8.600211\nRb H Pd\n4 8 2\ndirect\n0.000000 0.500000 0.250000 Rb\n0.500000 0.000000 0.750000 Rb\n0.000000 0.500000 0.750000 Rb\n0.500000 0.000000 0.250000 Rb\n0.500000 0.500000 0.306648 H\n0.000000 0.000000 0.806648 H\n0.500000 0.500000 0.693352 H\n0.000000 0.000000 0.193352 H\n0.301260 0.698740 0.500000 H\n0.698740 0.301260 0.500000 H\n0.198740 0.198740 0.000000 H\n0.801260 0.801260 0.000000 H\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.084692691088394,
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"volume": 302.9505697454571,
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"formula_full": "Rb4 H8 Pd2",
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"formula_anonymous": "AB2C4",
"energy": -46.65853818,
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"updated_at": "2021-11-28T01:35:45.645000Z",
"spacegroup": 136
},
{
"id": "mp-773184",
"created_at": "2022-09-04T14:42:22.943462Z",
"structure_string": "Li4 Mn2 Sn2 O8\n1.0\n3.016693 -3.197976 -4.404655\n0.253334 6.274679 -0.006624\n3.008424 -3.205760 4.404657\nLi Mn Sn O\n4 2 2 8\ndirect\n0.499999 0.999999 0.999998 Li\n0.500000 0.500000 0.499999 Li\n0.999999 0.499999 0.499998 Li\n0.499999 0.999999 0.499998 Li\n0.000005 0.000006 0.500010 Mn\n0.999993 0.499998 0.000016 Mn\n0.500002 0.499997 0.999996 Sn\n0.000004 0.000002 0.000000 Sn\n0.230775 0.992726 0.232200 O\n0.739477 0.507273 0.238047 O\n0.260524 0.492728 0.761952 O\n0.769223 0.007273 0.767794 O\n0.742343 0.979458 0.230827 O\n0.751370 0.520541 0.762884 O\n0.248631 0.479460 0.237113 O\n0.257654 0.020540 0.769167 O\n",
"nsites": 16,
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"elements": [
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"density": 4.810047337933597,
"density_atomic": 0.09213073065208305,
"volume": 173.66626625833933,
"volume_molar": 6.536516879195988,
"formula_full": "Li4 Mn2 Sn2 O8",
"formula_reduced": "Li2MnSnO4",
"formula_anonymous": "ABC2D4",
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"updated_at": "2021-11-28T01:35:47.243000Z",
"spacegroup": 74
},
{
"id": "mp-981356",
"created_at": "2022-09-04T14:42:22.945149Z",
"structure_string": "Zr1 Fe6 Ge6\n1.0\n2.530957 -4.383746 0.000000\n2.530957 4.383746 0.000000\n0.000000 0.000000 8.075561\nZr Fe Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.000000 0.249636 Fe\n0.500000 0.500000 0.249636 Fe\n0.000000 0.500000 0.249636 Fe\n0.500000 0.500000 0.750364 Fe\n0.000000 0.500000 0.750364 Fe\n0.500000 0.000000 0.750364 Fe\n0.333333 0.666667 0.000000 Ge\n0.666667 0.333333 0.000000 Ge\n0.000000 0.000000 0.342500 Ge\n0.666667 0.333333 0.500000 Ge\n0.333333 0.666667 0.500000 Ge\n0.000000 0.000000 0.657500 Ge\n",
"nsites": 13,
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"elements": [
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],
"chemical_system": "Fe-Ge-Zr",
"density": 7.988974283843689,
"density_atomic": 0.07254550451152467,
"volume": 179.19787156397547,
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"formula_full": "Zr1 Fe6 Ge6",
"formula_reduced": "Zr(FeGe)6",
"formula_anonymous": "AB6C6",
"energy": -90.41974394,
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"spacegroup": 191
},
{
"id": "mp-776400",
"created_at": "2022-09-04T14:42:22.947697Z",
"structure_string": "Fe4 Co12 O32\n1.0\n7.992538 0.005888 -0.002999\n0.005854 8.005187 -0.002566\n-0.003187 -0.002551 8.006552\nFe Co O\n4 12 32\ndirect\n0.125164 0.874988 0.375299 Fe\n0.375140 0.125346 0.875070 Fe\n0.625064 0.625021 0.624726 Fe\n0.875147 0.374749 0.124938 Fe\n0.125721 0.124511 0.625120 Co\n0.125235 0.374713 0.875606 Co\n0.124011 0.625342 0.125713 Co\n0.375625 0.375066 0.625377 Co\n0.375198 0.625657 0.375289 Co\n0.373982 0.875890 0.124788 Co\n0.625673 0.375430 0.374941 Co\n0.625233 0.125276 0.124406 Co\n0.623965 0.874746 0.874193 Co\n0.875694 0.124902 0.374619 Co\n0.875231 0.874315 0.624718 Co\n0.873903 0.624122 0.875189 Co\n0.111972 0.109824 0.389285 O\n0.111691 0.888392 0.610028 O\n0.106743 0.607240 0.893479 O\n0.140200 0.138708 0.861068 O\n0.110277 0.389297 0.111611 O\n0.142770 0.357163 0.643178 O\n0.138960 0.640181 0.361704 O\n0.137475 0.861425 0.140522 O\n0.362092 0.139039 0.640173 O\n0.361642 0.360081 0.861488 O\n0.356850 0.643427 0.142671 O\n0.389990 0.611160 0.611348 O\n0.360270 0.861709 0.360816 O\n0.392811 0.393155 0.392819 O\n0.388862 0.112010 0.109910 O\n0.387485 0.890555 0.888749 O\n0.611974 0.390083 0.610807 O\n0.611544 0.611482 0.390058 O\n0.606838 0.892685 0.106584 O\n0.640110 0.361366 0.138932 O\n0.610176 0.110680 0.888454 O\n0.642919 0.142864 0.356794 O\n0.638902 0.859849 0.638206 O\n0.637452 0.638735 0.859369 O\n0.862016 0.360897 0.359833 O\n0.861724 0.139945 0.138491 O\n0.856859 0.856589 0.857247 O\n0.890072 0.888872 0.388676 O\n0.860247 0.638187 0.639161 O\n0.892805 0.106824 0.607196 O\n0.888895 0.388045 0.890189 O\n0.887394 0.609600 0.111302 O\n",
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"density": 4.676073700599997,
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"volume": 512.2728941469712,
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"formula_full": "Fe4 Co12 O32",
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{
"id": "mp-1192455",
"created_at": "2022-09-04T14:42:22.950058Z",
"structure_string": "Tm4 W4 Br4 O16\n1.0\n6.983513 0.000000 0.000000\n-0.647525 7.233713 0.000000\n-3.419295 -2.760194 10.014853\nTm W Br O\n4 4 4 16\ndirect\n0.665632 0.102475 0.730385 Tm\n0.334368 0.897525 0.269615 Tm\n0.377811 0.663391 0.766712 Tm\n0.622189 0.336609 0.233288 Tm\n0.726010 0.816506 0.133688 W\n0.273990 0.183494 0.866312 W\n0.767056 0.585722 0.625465 W\n0.232944 0.414278 0.374535 W\n0.265629 0.010242 0.520055 Br\n0.734371 0.989758 0.479945 Br\n0.190835 0.723257 0.983395 Br\n0.809165 0.276743 0.016605 Br\n0.650225 0.731667 0.954725 O\n0.349775 0.268333 0.045275 O\n0.000045 0.886440 0.203342 O\n0.999955 0.113560 0.796658 O\n0.646632 0.628576 0.201070 O\n0.353368 0.371424 0.798930 O\n0.404977 0.985938 0.811239 O\n0.595023 0.014062 0.188761 O\n0.038807 0.651594 0.668321 O\n0.961193 0.348406 0.331679 O\n0.725742 0.393257 0.699233 O\n0.274258 0.606743 0.300767 O\n0.661018 0.496941 0.444107 O\n0.338982 0.503059 0.555893 O\n0.657739 0.784605 0.705670 O\n0.342261 0.215395 0.294330 O\n",
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{
"id": "mp-1519183",
"created_at": "2022-09-04T14:42:22.953125Z",
"structure_string": "K1 Sr1 Ce1 Nb1 O6\n1.0\n0.000000 -4.253130 -4.253130\n4.253130 0.000000 -4.253130\n4.253130 -4.253130 0.000000\nK Sr Ce Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Nb\n0.737191 0.262809 0.262809 O\n0.262809 0.737191 0.737191 O\n0.737191 0.262809 0.737191 O\n0.262809 0.737191 0.262809 O\n0.737191 0.737191 0.262809 O\n0.262809 0.262809 0.737191 O\n",
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{
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"elements": [
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"updated_at": "2021-11-28T01:35:40.764000Z",
"spacegroup": 1
},
{
"id": "mp-1016359",
"created_at": "2022-09-04T14:42:22.963173Z",
"structure_string": "Sr2 Mg12 Bi2\n1.0\n5.453839 0.000000 0.000000\n0.000000 6.524779 0.000000\n0.000000 0.000000 12.120265\nSr Mg Bi\n2 12 2\ndirect\n0.500000 0.000000 0.170747 Sr\n0.500000 0.500000 0.670747 Sr\n0.500000 0.247949 0.418364 Mg\n0.500000 0.752051 0.418364 Mg\n0.000000 0.744000 0.073297 Mg\n0.000000 0.256000 0.073297 Mg\n0.000000 0.000000 0.343613 Mg\n0.000000 0.500000 0.339187 Mg\n0.500000 0.747949 0.918364 Mg\n0.500000 0.252051 0.918364 Mg\n0.000000 0.244000 0.573297 Mg\n0.000000 0.756000 0.573297 Mg\n0.000000 0.500000 0.843613 Mg\n0.000000 0.000000 0.839187 Mg\n0.500000 0.500000 0.163126 Bi\n0.500000 0.000000 0.663126 Bi\n",
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],
"chemical_system": "Bi-Mg-Sr",
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},
{
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"created_at": "2022-09-04T14:42:21.440425Z",
"structure_string": "Rb4 Sn4 Se10\n1.0\n4.398760 5.900175 0.000000\n-4.398760 5.900175 0.000000\n0.000000 3.828210 11.657749\nRb Sn Se\n4 4 10\ndirect\n0.591859 0.941565 0.820450 Rb\n0.058435 0.408141 0.679550 Rb\n0.408141 0.058435 0.179550 Rb\n0.941565 0.591859 0.320450 Rb\n0.745353 0.448490 0.056182 Sn\n0.551510 0.254647 0.443818 Sn\n0.254647 0.551510 0.943818 Sn\n0.448490 0.745353 0.556182 Sn\n0.801653 0.198347 0.250000 Se\n0.198347 0.801653 0.750000 Se\n0.642629 0.375640 0.885047 Se\n0.624360 0.357371 0.614953 Se\n0.357371 0.624360 0.114953 Se\n0.375640 0.642629 0.385047 Se\n0.871402 0.751474 0.030985 Se\n0.248526 0.128598 0.469015 Se\n0.751474 0.871402 0.530985 Se\n0.128598 0.248526 0.969015 Se\n",
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}
]
}