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{
"id": "mp-1022626",
"created_at": "2022-09-04T14:47:17.428272Z",
"structure_string": "Mg12 Zn2 Ni2\n1.0\n4.765064 0.000000 0.000000\n0.000000 6.149402 0.000000\n0.000000 0.000000 10.392459\nMg Zn Ni\n12 2 2\ndirect\n0.500000 0.750746 0.084616 Mg\n0.500000 0.249254 0.084616 Mg\n0.000000 0.741948 0.910813 Mg\n0.000000 0.258052 0.910813 Mg\n0.000000 0.500000 0.169657 Mg\n0.000000 0.500000 0.673910 Mg\n0.500000 0.250746 0.584616 Mg\n0.500000 0.749254 0.584616 Mg\n0.000000 0.241948 0.410813 Mg\n0.000000 0.758052 0.410813 Mg\n0.000000 0.000000 0.669657 Mg\n0.000000 0.000000 0.173910 Mg\n0.500000 0.500000 0.332602 Zn\n0.500000 0.000000 0.832602 Zn\n0.500000 0.500000 0.832979 Ni\n0.500000 0.000000 0.332979 Ni\n",
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{
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{
"id": "mp-1114398",
"created_at": "2022-09-04T14:42:21.329863Z",
"structure_string": "K1 Rb2 Au1 Cl6\n1.0\n0.000000 5.492703 5.492703\n5.492703 0.000000 5.492703\n5.492703 5.492703 0.000000\nK Rb Au Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Au\n0.770956 0.229044 0.229044 Cl\n0.229044 0.229044 0.770956 Cl\n0.229044 0.770956 0.770956 Cl\n0.229044 0.770956 0.229044 Cl\n0.770956 0.229044 0.770956 Cl\n0.770956 0.770956 0.229044 Cl\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Au-Cl-K-Rb",
"density": 3.1049541488823817,
"density_atomic": 0.03017252491207825,
"volume": 331.42735084782174,
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"formula_full": "K1 Rb2 Au1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "mp-21509",
"created_at": "2022-09-04T14:46:29.798850Z",
"structure_string": "La3 Mg3 Ga3\n1.0\n3.800960 -6.583456 0.000000\n3.800960 6.583456 0.000000\n0.000000 0.000000 4.625845\nLa Mg Ga\n3 3 3\ndirect\n0.000000 0.577482 0.000000 La\n0.422518 0.422518 0.000000 La\n0.577482 0.000000 0.000000 La\n0.000000 0.241823 0.500000 Mg\n0.758177 0.758177 0.500000 Mg\n0.241823 0.000000 0.500000 Mg\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 9,
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"elements": [
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"density": 5.012264024843746,
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"volume": 231.50922912471103,
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"formula_full": "La3 Mg3 Ga3",
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{
"id": "mp-12765",
"created_at": "2022-09-04T14:46:07.983613Z",
"structure_string": "Gd1 C2\n1.0\n-1.866769 1.866769 3.140601\n1.866769 -1.866769 3.140601\n1.866769 1.866769 -3.140601\nGd C\n1 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.603586 0.603586 0.000000 C\n0.396414 0.396414 0.000000 C\n",
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"density": 6.8758195402426106,
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"volume": 43.77779835487862,
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"updated_at": "2021-11-28T01:37:25.970000Z",
"spacegroup": 139
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{
"id": "mp-1222958",
"created_at": "2022-09-04T14:46:59.311273Z",
"structure_string": "La1 Eu1 S2\n1.0\n6.873137 -2.077052 0.000000\n6.873137 2.077052 0.000000\n6.245455 0.000000 3.542379\nLa Eu S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Eu\n0.250873 0.250873 0.250873 S\n0.749127 0.749127 0.749127 S\n",
"nsites": 4,
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"elements": [
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"Eu",
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"volume": 101.14103425696413,
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"formula_full": "La1 Eu1 S2",
"formula_reduced": "LaEuS2",
"formula_anonymous": "ABC2",
"energy": -33.05912948,
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"updated_at": "2021-11-28T01:37:44.819000Z",
"spacegroup": 166
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{
"id": "mp-1207184",
"created_at": "2022-09-04T14:46:53.354816Z",
"structure_string": "Dy1 Sb1 O3\n1.0\n4.248024 0.000000 0.000000\n0.000000 4.248024 0.000000\n0.000000 0.000000 4.248024\nDy Sb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
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"density": 7.197205784014324,
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"volume": 76.65860027562857,
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"formula_full": "Dy1 Sb1 O3",
"formula_reduced": "DySbO3",
"formula_anonymous": "ABC3",
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{
"id": "mp-774411",
"created_at": "2022-09-04T14:39:15.727169Z",
"structure_string": "Li2 V1 O2\n1.0\n1.615087 -2.797412 0.000000\n1.615087 2.797412 0.000000\n0.000000 0.000000 5.193099\nLi V O\n2 1 2\ndirect\n0.333333 0.666667 0.134648 Li\n0.666667 0.333333 0.865352 Li\n0.000000 0.000000 0.500000 V\n0.333333 0.666667 0.740153 O\n0.666667 0.333333 0.259847 O\n",
"nsites": 5,
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"density": 3.4262223193539616,
"density_atomic": 0.10655186402994775,
"volume": 46.92550473443324,
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"formula_full": "Li2 V1 O2",
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"updated_at": "2021-11-28T01:34:37.837000Z",
"spacegroup": 164
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{
"id": "mp-1183682",
"created_at": "2022-09-04T14:47:28.654603Z",
"structure_string": "Cr3 As1\n1.0\n0.000000 2.887280 2.887280\n2.887280 0.000000 2.887280\n2.887280 2.887280 0.000000\nCr As\n3 1\ndirect\n0.250000 0.250000 0.250000 Cr\n0.750000 0.750000 0.750000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 As\n",
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{
"id": "mp-1112033",
"created_at": "2022-09-04T14:42:47.101402Z",
"structure_string": "K2 Hg1 Bi1 Cl6\n1.0\n0.000000 5.570835 5.570835\n5.570835 0.000000 5.570835\n5.570835 5.570835 0.000000\nK Hg Bi Cl\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 Hg\n0.000000 0.000000 0.000000 Bi\n0.755912 0.244088 0.244088 Cl\n0.244088 0.244088 0.755912 Cl\n0.244088 0.755912 0.755912 Cl\n0.244088 0.755912 0.244088 Cl\n0.755912 0.244088 0.755912 Cl\n0.755912 0.755912 0.244088 Cl\n",
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{
"id": "mp-1027949",
"created_at": "2022-09-04T14:47:25.273477Z",
"structure_string": "Y1 Mg14 Bi1\n1.0\n6.512452 0.000000 0.000000\n-3.256226 5.639949 -0.000000\n-0.000000 0.000000 10.517745\nY Mg Bi\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Y\n0.172973 0.836486 0.125000 Mg\n0.163076 0.831538 0.625000 Mg\n0.663514 0.327027 0.125000 Mg\n0.668462 0.336924 0.625000 Mg\n0.663514 0.836486 0.125000 Mg\n0.668462 0.831538 0.625000 Mg\n0.334891 0.165109 0.374359 Mg\n0.334891 0.165109 0.875641 Mg\n0.334891 0.669782 0.374359 Mg\n0.334891 0.669782 0.875641 Mg\n0.830218 0.165109 0.374359 Mg\n0.830218 0.165109 0.875641 Mg\n0.833333 0.666667 0.369970 Mg\n0.833333 0.666667 0.880030 Mg\n0.166667 0.333333 0.625000 Bi\n",
"nsites": 16,
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"density": 2.743050322666173,
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"volume": 386.31569204679107,
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"formula_full": "Y1 Mg14 Bi1",
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{
"id": "mp-1184201",
"created_at": "2022-09-04T14:48:13.128154Z",
"structure_string": "Cs2 Sb1 Cl6\n1.0\n0.000000 5.366458 5.366458\n5.366458 0.000000 5.366458\n5.366458 5.366458 0.000000\nCs Sb Cl\n2 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Sb\n0.737667 0.737667 0.262333 Cl\n0.262333 0.262333 0.737667 Cl\n0.737667 0.262333 0.737667 Cl\n0.262333 0.737667 0.262333 Cl\n0.737667 0.262333 0.262333 Cl\n0.262333 0.737667 0.737667 Cl\n",
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]
}