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{
"id": "mp-1228824",
"created_at": "2022-09-04T14:47:15.237830Z",
"structure_string": "Al1 Zn1 Ga1 S4\n1.0\n5.374074 0.000000 0.000000\n0.000000 5.374074 0.000000\n2.687038 2.687038 5.222091\nAl Zn Ga S\n1 1 1 4\ndirect\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Ga\n0.873369 0.387793 0.743727 S\n0.382904 0.868480 0.743727 S\n0.612207 0.617096 0.256273 S\n0.131520 0.126631 0.256273 S\n",
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{
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"formula_full": "K2 Pr1 Ag1 I6",
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"spacegroup": 225
},
{
"id": "mp-1206529",
"created_at": "2022-09-04T14:44:05.033162Z",
"structure_string": "Rb1 P2 Ir2\n1.0\n-1.984788 1.984788 6.945030\n1.984788 -1.984788 6.945030\n1.984788 1.984788 -6.945030\nRb P Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.342571 0.342571 0.000000 P\n0.657429 0.657429 0.000000 P\n0.750000 0.250000 0.500000 Ir\n0.250000 0.750000 0.500000 Ir\n",
"nsites": 5,
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"density": 8.070033556102727,
"density_atomic": 0.04568857741893897,
"volume": 109.43654371535291,
"volume_molar": 13.180845410834973,
"formula_full": "Rb1 P2 Ir2",
"formula_reduced": "Rb(PIr)2",
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"updated_at": "2021-11-28T01:36:22.791000Z",
"spacegroup": 139
},
{
"id": "mp-1213284",
"created_at": "2022-09-04T14:41:12.100587Z",
"structure_string": "Hg3 Rh1 F6\n1.0\n-3.085940 -4.533177 -0.263763\n-5.614515 6.137129 -0.669469\n-1.131598 0.640145 -12.978732\nHg Rh F\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Rh\n0.926667 0.201059 0.927422 F\n0.073333 0.798941 0.072578 F\n0.941409 0.956674 0.653017 F\n0.058591 0.043326 0.346983 F\n0.708527 0.865720 0.959067 F\n0.291473 0.134280 0.040933 F\n",
"nsites": 10,
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"elements": [
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"density": 2.382908001126652,
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"volume": 570.4906528841459,
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"formula_full": "Hg3 Rh1 F6",
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"energy": -32.67321396,
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"spacegroup": 2
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{
"id": "mp-571665",
"created_at": "2022-09-04T14:43:23.311623Z",
"structure_string": "Ho1 Si2 Pt2\n1.0\n-2.094366 2.094366 4.926915\n2.094366 -2.094366 4.926915\n2.094366 2.094366 -4.926915\nHo Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.382584 0.382584 0.000000 Si\n0.617416 0.617416 0.000000 Si\n0.250000 0.750000 0.500000 Pt\n0.750000 0.250000 0.500000 Pt\n",
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"elements": [
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"chemical_system": "Ho-Pt-Si",
"density": 11.7419838121484,
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"volume": 86.44506774262858,
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"formula_full": "Ho1 Si2 Pt2",
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"formula_anonymous": "AB2C2",
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"updated_at": "2021-11-28T01:36:18.608000Z",
"spacegroup": 139
},
{
"id": "mp-1027162",
"created_at": "2022-09-04T14:46:36.489990Z",
"structure_string": "Ce1 Mg14 B1\n1.0\n6.690220 0.425358 0.000000\n-2.976739 5.155863 0.000000\n0.000000 0.000000 10.277021\nCe Mg B\n1 14 1\ndirect\n0.111834 0.305916 0.125000 Ce\n0.155001 0.327500 0.625000 Mg\n0.134862 0.817430 0.625000 Mg\n0.588677 0.280906 0.125000 Mg\n0.648908 0.327010 0.625000 Mg\n0.588677 0.807769 0.125000 Mg\n0.648908 0.821897 0.625000 Mg\n0.345751 0.173561 0.377120 Mg\n0.345751 0.173561 0.872880 Mg\n0.345751 0.672191 0.377120 Mg\n0.345751 0.672191 0.872880 Mg\n0.827578 0.163790 0.384745 Mg\n0.827578 0.163790 0.865255 Mg\n0.920680 0.710341 0.290597 Mg\n0.920680 0.710341 0.959403 Mg\n0.243613 0.871806 0.125000 B\n",
"nsites": 16,
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"elements": [
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"Mg",
"B"
],
"chemical_system": "B-Ce-Mg",
"density": 2.219420502017887,
"density_atomic": 0.043536626399267,
"volume": 367.5066564245635,
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"formula_full": "Ce1 Mg14 B1",
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"updated_at": "2021-11-28T01:37:38.343000Z",
"spacegroup": 38
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{
"id": "mp-1184448",
"created_at": "2022-09-04T14:48:11.474272Z",
"structure_string": "Gd2 Tl1 Hg1\n1.0\n0.000000 3.786938 3.786938\n3.786938 0.000000 3.786938\n3.786938 3.786938 0.000000\nGd Tl Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Gd\n0.750000 0.750000 0.750000 Gd\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 10.999405144694544,
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"formula_full": "Gd2 Tl1 Hg1",
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"updated_at": "2021-11-28T01:38:34.072000Z",
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{
"id": "mp-1023147",
"created_at": "2022-09-04T14:41:50.530846Z",
"structure_string": "Ca2 La2 Mg12\n1.0\n5.364338 0.000000 0.000000\n0.000000 6.919137 0.000000\n0.000000 0.000000 11.805704\nCa La Mg\n2 2 12\ndirect\n0.000000 0.500000 0.657655 Ca\n0.000000 0.000000 0.157655 Ca\n0.500000 0.500000 0.841905 La\n0.500000 0.000000 0.341905 La\n0.000000 0.246446 0.916309 Mg\n0.000000 0.753554 0.916309 Mg\n0.000000 0.500000 0.165562 Mg\n0.500000 0.250407 0.083016 Mg\n0.500000 0.749593 0.083016 Mg\n0.500000 0.500000 0.336227 Mg\n0.000000 0.746446 0.416309 Mg\n0.000000 0.253554 0.416309 Mg\n0.000000 0.000000 0.665562 Mg\n0.500000 0.750407 0.583016 Mg\n0.500000 0.249593 0.583016 Mg\n0.500000 0.000000 0.836227 Mg\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.4618022822081294,
"density_atomic": 0.036514051887983366,
"volume": 438.1874695551259,
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"formula_full": "Ca2 La2 Mg12",
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"spacegroup": 38
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{
"id": "mp-1110950",
"created_at": "2022-09-04T14:42:25.158751Z",
"structure_string": "K2 Nd1 Ag1 I6\n1.0\n0.000000 6.129624 6.129624\n6.129624 0.000000 6.129624\n6.129624 6.129624 0.000000\nK Nd Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Ag\n0.753031 0.246969 0.246969 I\n0.246969 0.246969 0.753031 I\n0.246969 0.753031 0.753031 I\n0.246969 0.753031 0.246969 I\n0.753031 0.246969 0.753031 I\n0.753031 0.753031 0.246969 I\n",
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"spacegroup": 225
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{
"id": "mp-1215624",
"created_at": "2022-09-04T14:41:55.267844Z",
"structure_string": "Zn4 Cd1 Se5\n1.0\n-2.911815 -2.911815 0.000000\n0.000000 -2.911815 -14.658124\n2.911815 -2.911815 0.000000\nZn Cd Se\n4 1 5\ndirect\n0.995451 0.009099 0.995451 Zn\n0.399193 0.201614 0.399193 Zn\n0.800807 0.398386 0.800807 Zn\n0.204549 0.590901 0.204549 Zn\n0.600000 0.800000 0.600000 Cd\n0.350000 0.300000 0.850000 Se\n0.752424 0.495152 0.252424 Se\n0.156928 0.686144 0.656928 Se\n0.543072 0.913856 0.043072 Se\n0.947576 0.104848 0.447576 Se\n",
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"volume": 248.56269258561545,
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"formula_full": "Zn4 Cd1 Se5",
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{
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"created_at": "2022-09-04T14:46:20.484841Z",
"structure_string": "Al2 Cu2 Te4\n1.0\n-3.042325 3.042325 6.046239\n3.042325 -3.042325 6.046239\n3.042325 3.042325 -6.046239\nAl Cu Te\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.750000 0.250000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.375000 0.366213 0.491213 Te\n0.633787 0.125000 0.008787 Te\n0.116213 0.625000 0.991213 Te\n0.875000 0.883787 0.508787 Te\n",
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"formula_full": "Al2 Cu2 Te4",
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{
"id": "mp-865956",
"created_at": "2022-09-04T14:43:06.969797Z",
"structure_string": "Ir2 Cl6\n1.0\n4.829472 -8.364892 0.000000\n4.829472 8.364892 0.000000\n0.000000 0.000000 3.393319\nIr Cl\n2 6\ndirect\n0.333333 0.666667 0.750000 Ir\n0.666667 0.333333 0.250000 Ir\n0.231024 0.462048 0.250000 Cl\n0.537952 0.768976 0.250000 Cl\n0.231024 0.768976 0.250000 Cl\n0.768976 0.537952 0.750000 Cl\n0.462048 0.231024 0.750000 Cl\n0.768976 0.231024 0.750000 Cl\n",
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]
}