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"results": [
{
"id": "mp-1216192",
"created_at": "2022-09-04T14:43:22.402667Z",
"structure_string": "W1 Br1 Cl3 O1\n1.0\n-0.002322 0.001421 3.877146\n-4.631238 4.578483 1.943966\n-4.667901 -4.617786 -1.935062\nW Br Cl O\n1 1 3 1\ndirect\n0.033885 0.002181 0.003569 W\n0.010020 0.806607 0.681879 Br\n0.317297 0.696157 0.188794 Cl\n0.825379 0.307411 0.817865 Cl\n0.130912 0.186107 0.304728 Cl\n0.560506 0.001537 0.003164 O\n",
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{
"id": "mp-1205889",
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"structure_string": "Yb4 In2 Au4\n1.0\n7.912570 0.000000 0.000000\n0.000000 7.912570 0.000000\n0.000000 0.000000 3.849585\nYb In Au\n4 2 4\ndirect\n0.670940 0.170940 0.500000 Yb\n0.329060 0.829060 0.500000 Yb\n0.170940 0.329060 0.500000 Yb\n0.829060 0.670940 0.500000 Yb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.129128 0.629128 0.000000 Au\n0.870872 0.370872 0.000000 Au\n0.629128 0.870872 0.000000 Au\n0.370872 0.129128 0.000000 Au\n",
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"formula_full": "Yb4 In2 Au4",
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"updated_at": "2021-11-28T01:36:58.183000Z",
"spacegroup": 127
},
{
"id": "mp-3065",
"created_at": "2022-09-04T14:48:13.984643Z",
"structure_string": "Ho1 Fe2 Ge2\n1.0\n-1.965148 1.965148 5.363057\n1.965148 -1.965148 5.363057\n1.965148 1.965148 -5.363057\nHo Fe Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.617018 0.617018 0.000000 Ge\n0.382982 0.382982 0.000000 Ge\n",
"nsites": 5,
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"elements": [
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"density": 8.456604516164752,
"density_atomic": 0.06035414095632243,
"volume": 82.84435700308352,
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"formula_full": "Ho1 Fe2 Ge2",
"formula_reduced": "Ho(FeGe)2",
"formula_anonymous": "AB2C2",
"energy": -32.98758108,
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"updated_at": "2021-11-28T01:38:35.927000Z",
"spacegroup": 139
},
{
"id": "mp-1186418",
"created_at": "2022-09-04T14:41:48.867833Z",
"structure_string": "Pa1 Ti3\n1.0\n0.000000 3.351925 3.351925\n3.351925 0.000000 3.351925\n3.351925 3.351925 0.000000\nPa Ti\n1 3\ndirect\n0.000000 0.000000 0.000000 Pa\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 Ti\n",
"nsites": 4,
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"volume": 75.32044437232916,
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"formula_full": "Pa1 Ti3",
"formula_reduced": "PaTi3",
"formula_anonymous": "AB3",
"energy": -32.98687004,
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"spacegroup": 225
},
{
"id": "mp-1216719",
"created_at": "2022-09-04T14:42:39.218911Z",
"structure_string": "U2 Te1 Se1\n1.0\n6.738166 -2.145277 0.000000\n6.738166 2.145277 0.000000\n6.055159 0.000000 3.652416\nU Te Se\n2 1 1\ndirect\n0.260024 0.260024 0.260024 U\n0.739976 0.739976 0.739976 U\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
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"density": 10.734736886220048,
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"volume": 105.59304524011145,
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"formula_full": "U2 Te1 Se1",
"formula_reduced": "U2TeSe",
"formula_anonymous": "ABC2",
"energy": -32.986749,
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"updated_at": "2021-11-28T01:35:51.573000Z",
"spacegroup": 166
},
{
"id": "mp-19279",
"created_at": "2022-09-04T14:46:35.620586Z",
"structure_string": "Li2 Mn1 O2\n1.0\n3.226028 0.000000 0.000000\n-1.613014 2.793822 0.000000\n0.000000 0.000000 5.334026\nLi Mn O\n2 1 2\ndirect\n0.666666 0.333335 0.368285 Li\n0.333333 0.666666 0.631717 Li\n0.000000 0.000000 0.000000 Mn\n0.333333 0.666666 0.246202 O\n0.666666 0.333335 0.753798 O\n",
"nsites": 5,
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"elements": [
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"density": 3.482321158303049,
"density_atomic": 0.10400351340106279,
"volume": 48.07529896339931,
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"formula_full": "Li2 Mn1 O2",
"formula_reduced": "Li2MnO2",
"formula_anonymous": "AB2C2",
"energy": -32.98627288,
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"updated_at": "2021-11-28T01:37:40.915000Z",
"spacegroup": 164
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{
"id": "mp-1237875",
"created_at": "2022-09-04T14:42:53.323946Z",
"structure_string": "Mg8 Si4\n1.0\n5.264305 0.573348 0.278848\n-2.347465 5.644377 0.647912\n0.512857 0.831305 7.572228\nMg Si\n8 4\ndirect\n0.652112 0.200975 0.085074 Mg\n0.667227 0.850756 0.426048 Mg\n0.179026 0.630393 0.916742 Mg\n0.665388 0.066261 0.740132 Mg\n0.681161 0.715852 0.081102 Mg\n0.166923 0.458074 0.583603 Mg\n0.165983 0.957862 0.583520 Mg\n0.154636 0.286065 0.250122 Mg\n0.169880 0.793872 0.240530 Si\n0.162904 0.121805 0.926691 Si\n0.686907 0.388540 0.405256 Si\n0.647964 0.529544 0.760710 Si\n",
"nsites": 12,
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"elements": [
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],
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"density": 2.2034423296380865,
"density_atomic": 0.05190437458602595,
"volume": 231.19438574702951,
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"formula_full": "Mg8 Si4",
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"formula_anonymous": "AB2",
"energy": -32.98352283,
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{
"id": "mp-1216678",
"created_at": "2022-09-04T14:41:06.720807Z",
"structure_string": "Ti1 Mo1 P2\n1.0\n1.619827 -2.805623 0.000000\n1.619827 2.805623 0.000000\n0.000000 0.000000 6.520716\nTi Mo P\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Mo\n0.333333 0.666667 0.249628 P\n0.666667 0.333333 0.750372 P\n",
"nsites": 4,
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"volume": 59.26840339076835,
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"formula_full": "Ti1 Mo1 P2",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:09.940000Z",
"spacegroup": 164
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{
"id": "mp-1113046",
"created_at": "2022-09-04T14:40:21.667470Z",
"structure_string": "Cs2 K1 In1 Br6\n1.0\n0.000000 5.886266 5.886266\n5.886266 0.000000 5.886266\n5.886266 5.886266 0.000000\nCs K In Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 In\n0.769551 0.230449 0.230449 Br\n0.230449 0.230449 0.769551 Br\n0.230449 0.769551 0.769551 Br\n0.230449 0.769551 0.230449 Br\n0.769551 0.230449 0.769551 Br\n0.769551 0.769551 0.230449 Br\n",
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"volume": 407.8961888244725,
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"formula_full": "Cs2 K1 In1 Br6",
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{
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"structure_string": "Dy1 Ge2 Rh2\n1.0\n-2.072454 2.072454 5.187229\n2.072454 -2.072454 5.187229\n2.072454 2.072454 -5.187229\nDy Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.621427 0.621427 0.000000 Ge\n0.378573 0.378573 0.000000 Ge\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
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{
"id": "mp-1217728",
"created_at": "2022-09-04T14:42:58.379046Z",
"structure_string": "Tb2 In3 Sn3\n1.0\n4.666802 0.000000 0.000000\n0.000000 4.701603 0.000000\n0.000000 0.000000 9.373908\nTb In Sn\n2 3 3\ndirect\n0.000000 0.000000 0.245118 Tb\n0.000000 0.000000 0.754882 Tb\n0.500000 0.500000 0.251700 In\n0.500000 0.500000 0.748300 In\n0.000000 0.500000 0.500000 In\n0.000000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n",
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"formula_full": "Tb2 In3 Sn3",
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{
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"created_at": "2022-09-04T14:40:57.264312Z",
"structure_string": "Yb4 Zn4 Au4\n1.0\n4.355742 0.000000 0.000000\n0.000000 7.140075 0.000000\n0.000000 0.000000 8.163011\nYb Zn Au\n4 4 4\ndirect\n0.750000 0.472486 0.808905 Yb\n0.250000 0.027514 0.308905 Yb\n0.750000 0.972486 0.691095 Yb\n0.250000 0.527514 0.191095 Yb\n0.250000 0.655602 0.567484 Zn\n0.250000 0.155602 0.932516 Zn\n0.750000 0.344398 0.432516 Zn\n0.750000 0.844398 0.067484 Zn\n0.250000 0.767622 0.885321 Au\n0.250000 0.267622 0.614679 Au\n0.750000 0.732378 0.385321 Au\n0.750000 0.232378 0.114679 Au\n",
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"density": 11.391941330512742,
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"volume": 253.8722914921561,
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"formula_full": "Yb4 Zn4 Au4",
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}
]
}