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{
"id": "mp-1111641",
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"structure_string": "K2 Na1 Ga1 Br6\n1.0\n0.000000 5.467078 5.467078\n5.467078 0.000000 5.467078\n5.467078 5.467078 0.000000\nK Na Ga Br\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 Na\n0.000000 0.000000 0.000000 Ga\n0.765351 0.234649 0.234649 Br\n0.234649 0.234649 0.765351 Br\n0.234649 0.765351 0.765351 Br\n0.234649 0.765351 0.234649 Br\n0.765351 0.234649 0.765351 Br\n0.765351 0.765351 0.234649 Br\n",
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{
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{
"id": "mp-724971",
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"structure_string": "K2 Hg2 Br6 O2\n1.0\n2.040017 -8.836358 0.000000\n2.040017 8.836358 0.000000\n0.000000 0.000000 9.788758\nK Hg Br O\n2 2 6 2\ndirect\n0.716970 0.283030 0.144413 K\n0.283030 0.716970 0.644413 K\n0.991493 0.008507 0.325847 Hg\n0.008507 0.991493 0.825847 Hg\n0.849767 0.150233 0.394449 Br\n0.150233 0.849767 0.894449 Br\n0.140732 0.859268 0.417141 Br\n0.859268 0.140732 0.917141 Br\n0.483771 0.516229 0.640029 Br\n0.516229 0.483771 0.140029 Br\n0.665879 0.334121 0.400121 O\n0.334121 0.665879 0.900121 O\n",
"nsites": 12,
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"elements": [
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"density_atomic": 0.03400294783544437,
"volume": 352.91057875550734,
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"formula_full": "K2 Hg2 Br6 O2",
"formula_reduced": "KHgBr3O",
"formula_anonymous": "ABCD3",
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"updated_at": "2021-11-28T01:36:32.411000Z",
"spacegroup": 36
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{
"id": "mp-999489",
"created_at": "2022-09-04T14:43:53.401132Z",
"structure_string": "Na1 Gd1 Se2\n1.0\n7.112261 -2.100302 0.000000\n7.112261 2.100302 0.000000\n6.492027 0.000000 3.584566\nNa Gd Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Gd\n0.743332 0.743332 0.743332 Se\n0.256668 0.256668 0.256668 Se\n",
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{
"id": "mp-510098",
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"structure_string": "Eu1 Au5\n1.0\n2.846356 -4.930033 0.000000\n2.846356 4.930033 0.000000\n0.000000 0.000000 4.722859\nEu Au\n1 5\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Au\n0.666667 0.333333 0.000000 Au\n0.000000 0.500000 0.500000 Au\n0.333333 0.666667 0.000000 Au\n0.500000 0.000000 0.500000 Au\n",
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"updated_at": "2021-11-28T01:35:16.269000Z",
"spacegroup": 191
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{
"id": "mp-1071955",
"created_at": "2022-09-04T14:44:41.268111Z",
"structure_string": "Al1 P1 S4\n1.0\n-2.851715 3.119587 5.082107\n2.851715 -3.119587 5.082107\n2.851715 3.119587 -5.082107\nAl P S\n1 1 4\ndirect\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 P\n0.072676 0.663979 0.962465 S\n0.701514 0.110211 0.037535 S\n0.927324 0.889789 0.591303 S\n0.298486 0.336021 0.408697 S\n",
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"formula_full": "Al1 P1 S4",
"formula_reduced": "AlPS4",
"formula_anonymous": "ABC4",
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"updated_at": "2021-11-28T01:36:46.206000Z",
"spacegroup": 23
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{
"id": "mp-1079655",
"created_at": "2022-09-04T14:46:36.259392Z",
"structure_string": "Mn1 N2 Cl6\n1.0\n0.000000 4.930877 4.930877\n4.930877 0.000000 4.930877\n4.930877 4.930877 0.000000\nMn N Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n0.772832 0.772832 0.227168 Cl\n0.227168 0.772832 0.227168 Cl\n0.772832 0.227168 0.227168 Cl\n0.227168 0.227168 0.772832 Cl\n0.772832 0.227168 0.772832 Cl\n0.227168 0.772832 0.772832 Cl\n",
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"volume": 239.77422913598485,
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"formula_full": "Mn1 N2 Cl6",
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{
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"created_at": "2022-09-04T14:41:33.240121Z",
"structure_string": "Mg1 Ge1 O3\n1.0\n3.718173 0.000000 0.000000\n0.000000 3.718173 0.000000\n0.000000 0.000000 3.718173\nMg Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"volume": 51.40303697478925,
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"formula_full": "Mg1 Ge1 O3",
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{
"id": "mp-1111499",
"created_at": "2022-09-04T14:42:54.594399Z",
"structure_string": "K3 Au1 Cl6\n1.0\n0.000000 5.468812 5.468812\n5.468812 0.000000 5.468812\n5.468812 5.468812 0.000000\nK Au Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Au\n0.770485 0.229515 0.229515 Cl\n0.229515 0.229515 0.770485 Cl\n0.229515 0.770485 0.770485 Cl\n0.229515 0.770485 0.229515 Cl\n0.770485 0.229515 0.770485 Cl\n0.770485 0.770485 0.229515 Cl\n",
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{
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{
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{
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"structure_string": "Cs2 In1 Hg1 Cl6\n1.0\n0.000000 5.459460 5.459460\n5.459460 0.000000 5.459460\n5.459460 5.459460 0.000000\nCs In Hg Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n0.763139 0.236861 0.236861 Cl\n0.236861 0.236861 0.763139 Cl\n0.236861 0.763139 0.763139 Cl\n0.236861 0.763139 0.236861 Cl\n0.763139 0.236861 0.763139 Cl\n0.763139 0.763139 0.236861 Cl\n",
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"formula_full": "Cs2 In1 Hg1 Cl6",
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]
}