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{
"id": "mp-1147569",
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{
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{
"id": "mp-1147567",
"created_at": "2022-09-04T14:41:21.009299Z",
"structure_string": "Ca2 Ti2 Cu2 O8\n1.0\n3.932742 0.000000 0.000000\n0.000000 3.932742 0.000000\n0.000000 0.000000 10.791628\nCa Ti Cu O\n2 2 2 8\ndirect\n0.750000 0.750000 0.126595 Ca\n0.250000 0.250000 0.873405 Ca\n0.750000 0.750000 0.745085 Ti\n0.250000 0.250000 0.254915 Ti\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.750000 0.750000 0.914884 O\n0.250000 0.250000 0.085116 O\n0.750000 0.750000 0.529891 O\n0.250000 0.250000 0.470109 O\n0.750000 0.250000 0.737727 O\n0.250000 0.750000 0.737727 O\n0.250000 0.750000 0.262273 O\n0.750000 0.250000 0.262273 O\n",
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"volume": 166.90827889639715,
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"formula_full": "Ca2 Ti2 Cu2 O8",
"formula_reduced": "CaTiCuO4",
"formula_anonymous": "ABCD4",
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},
{
"id": "mp-1147566",
"created_at": "2022-09-04T14:43:40.557980Z",
"structure_string": "Sr2 Cu2 O2 F4\n1.0\n-2.899290 2.899290 3.926241\n2.899290 -2.899290 3.926241\n2.899290 2.899290 -3.926241\nSr Cu O F\n2 2 2 4\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.750000 0.750000 0.000000 O\n0.250000 0.250000 0.000000 O\n0.815978 0.315978 0.131957 F\n0.315978 0.184022 0.500000 F\n0.184022 0.684022 0.868043 F\n0.684022 0.815978 0.500000 F\n",
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"volume": 132.01408211512037,
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"spacegroup": 140
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{
"id": "mp-1147565",
"created_at": "2022-09-04T14:46:56.445648Z",
"structure_string": "Cu4 Pb8 Br8 O8\n1.0\n7.784419 0.105461 0.000000\n0.105461 7.784419 0.000000\n0.000000 0.000000 12.330935\nCu Pb Br O\n4 8 8 8\ndirect\n0.125000 0.625000 0.417490 Cu\n0.625000 0.125000 0.417490 Cu\n0.375000 0.875000 0.582510 Cu\n0.875000 0.375000 0.582510 Cu\n0.375000 0.375000 0.101748 Pb\n0.375000 0.875000 0.102473 Pb\n0.875000 0.375000 0.102473 Pb\n0.875000 0.875000 0.101748 Pb\n0.125000 0.125000 0.898252 Pb\n0.125000 0.625000 0.897527 Pb\n0.625000 0.125000 0.897527 Pb\n0.625000 0.625000 0.898252 Pb\n0.375000 0.375000 0.377707 Br\n0.375000 0.875000 0.388545 Br\n0.875000 0.375000 0.388545 Br\n0.875000 0.875000 0.377707 Br\n0.125000 0.125000 0.622293 Br\n0.125000 0.625000 0.611455 Br\n0.625000 0.125000 0.611455 Br\n0.625000 0.625000 0.622293 Br\n0.374986 0.125014 0.000000 O\n0.375014 0.624986 0.000000 O\n0.875014 0.124986 0.000000 O\n0.874986 0.625014 0.000000 O\n0.125014 0.374986 0.000000 O\n0.124986 0.875014 0.000000 O\n0.624986 0.375014 0.000000 O\n0.625014 0.874986 0.000000 O\n",
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"elements": [
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"volume": 747.0827325617738,
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"formula_full": "Cu4 Pb8 Br8 O8",
"formula_reduced": "CuPb2(BrO)2",
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"updated_at": "2021-11-28T01:37:49.924000Z",
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{
"id": "mp-1147564",
"created_at": "2022-09-04T14:46:16.395016Z",
"structure_string": "Ba2 Cu1 S2 O2\n1.0\n4.152862 0.000000 0.000000\n0.000000 4.152862 0.000000\n0.000000 0.000000 8.506736\nBa Cu S O\n2 1 2 2\ndirect\n0.500000 0.500000 0.719013 Ba\n0.500000 0.500000 0.280987 Ba\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.876423 S\n0.000000 0.000000 0.123577 S\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
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"volume": 146.70940455003446,
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"formula_full": "Ba2 Cu1 S2 O2",
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{
"id": "mp-1147563",
"created_at": "2022-09-04T14:43:23.896098Z",
"structure_string": "Sr4 Fe3 Cl1 O8\n1.0\n3.970611 0.000000 0.000000\n0.000000 3.970611 0.000000\n0.000000 0.000000 15.643036\nSr Fe Cl O\n4 3 1 8\ndirect\n0.000000 0.000000 0.612003 Sr\n0.000000 0.000000 0.124518 Sr\n0.000000 0.000000 0.387997 Sr\n0.000000 0.000000 0.875482 Sr\n0.500000 0.500000 0.753738 Fe\n0.500000 0.500000 0.246262 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Cl\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.634850 O\n0.000000 0.500000 0.787899 O\n0.500000 0.500000 0.365150 O\n0.500000 0.000000 0.212101 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.212101 O\n0.500000 0.000000 0.787899 O\n",
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"elements": [
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"formula_full": "Sr4 Fe3 Cl1 O8",
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{
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"created_at": "2022-09-04T14:41:26.493850Z",
"structure_string": "La1 Bi2 C2 O2\n1.0\n-1.942735 1.942735 9.044328\n1.942735 -1.942735 9.044328\n1.942735 1.942735 -9.044328\nLa Bi C O\n1 2 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.821713 0.821713 0.000000 Bi\n0.178287 0.178287 0.000000 Bi\n0.536385 0.536385 0.000000 C\n0.463615 0.463615 0.000000 C\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
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{
"id": "mp-1147561",
"created_at": "2022-09-04T14:41:51.414871Z",
"structure_string": "Ba2 Cu2 S2 O2\n1.0\n1.986681 -6.359516 0.000000\n1.986681 6.359516 0.000000\n0.000000 0.000000 6.143635\nBa Cu S O\n2 2 2 2\ndirect\n0.896306 0.103694 0.750000 Ba\n0.103694 0.896306 0.250000 Ba\n0.397005 0.602995 0.250000 Cu\n0.602995 0.397005 0.750000 Cu\n0.816298 0.183702 0.250000 S\n0.183702 0.816298 0.750000 S\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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"formula_full": "Ba2 Cu2 S2 O2",
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{
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"structure_string": "K1 Y1 Cu2 O4\n1.0\n3.880632 0.000000 0.000000\n0.000000 3.880632 0.000000\n0.000000 0.000000 7.181065\nK Y Cu O\n1 1 2 4\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 Y\n0.500000 0.500000 0.722992 Cu\n0.500000 0.500000 0.277008 Cu\n0.000000 0.500000 0.700144 O\n0.500000 0.000000 0.700144 O\n0.000000 0.500000 0.299856 O\n0.500000 0.000000 0.299856 O\n",
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"formula_full": "K1 Y1 Cu2 O4",
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{
"id": "mp-1147559",
"created_at": "2022-09-04T14:45:21.962425Z",
"structure_string": "Sr3 Fe2 Cl1 O5\n1.0\n3.920372 0.000000 0.000000\n0.000000 3.920372 0.000000\n0.000000 0.000000 11.594037\nSr Fe Cl O\n3 2 1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.678790 Sr\n0.000000 0.000000 0.321210 Sr\n0.500000 0.500000 0.827258 Fe\n0.500000 0.500000 0.172742 Fe\n0.500000 0.500000 0.500000 Cl\n0.500000 0.000000 0.799503 O\n0.000000 0.500000 0.799503 O\n0.500000 0.000000 0.200497 O\n0.000000 0.500000 0.200497 O\n0.500000 0.500000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:46:58.517616Z",
"structure_string": "Ba4 Mg1 Bi3 O12\n1.0\n-4.319004 4.319004 4.319004\n4.319004 -4.319004 4.319004\n4.319004 4.319004 -4.319004\nBa Mg Bi O\n4 1 3 12\ndirect\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.500000 0.500000 Bi\n0.747401 0.747401 0.000000 O\n0.250000 0.500000 0.750000 O\n0.252599 0.000000 0.252599 O\n0.500000 0.750000 0.250000 O\n0.750000 0.250000 0.500000 O\n0.750000 0.500000 0.250000 O\n0.000000 0.747401 0.747401 O\n0.000000 0.252599 0.252599 O\n0.252599 0.252599 0.000000 O\n0.250000 0.750000 0.500000 O\n0.500000 0.250000 0.750000 O\n0.747401 0.000000 0.747401 O\n",
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}