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{
"id": "mp-1111537",
"created_at": "2022-09-04T14:39:45.123304Z",
"structure_string": "Na2 Ga1 Ag1 Br6\n1.0\n0.000000 5.367022 5.367022\n5.367022 0.000000 5.367022\n5.367022 5.367022 0.000000\nNa Ga Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.760163 0.239837 0.239837 Br\n0.239837 0.239837 0.760163 Br\n0.239837 0.760163 0.760163 Br\n0.239837 0.760163 0.239837 Br\n0.760163 0.239837 0.760163 Br\n0.760163 0.760163 0.239837 Br\n",
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{
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"structure_string": "Y1 Mg14 Cd1\n1.0\n6.467574 -0.000000 -0.000000\n-3.233787 5.601083 -0.000000\n-0.000000 -0.000000 10.430512\nY Mg Cd\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Y\n0.178071 0.839035 0.125000 Mg\n0.163954 0.831976 0.625000 Mg\n0.660965 0.321929 0.125000 Mg\n0.668024 0.336046 0.625000 Mg\n0.660965 0.839035 0.125000 Mg\n0.668024 0.831976 0.625000 Mg\n0.333320 0.166680 0.381102 Mg\n0.333320 0.166680 0.868898 Mg\n0.333320 0.666641 0.381102 Mg\n0.333320 0.666641 0.868898 Mg\n0.833359 0.166680 0.381102 Mg\n0.833359 0.166680 0.868898 Mg\n0.833333 0.666667 0.371122 Mg\n0.833333 0.666667 0.878878 Mg\n0.166667 0.333333 0.625000 Cd\n",
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"formula_full": "Y1 Mg14 Cd1",
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},
{
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"created_at": "2022-09-04T14:41:11.748063Z",
"structure_string": "Sm1 Ni1 C2\n1.0\n2.267977 -3.037637 0.000000\n2.267977 3.037637 0.000000\n0.000000 0.000000 3.748685\nSm Ni C\n1 1 2\ndirect\n0.999966 0.000034 0.000000 Sm\n0.612703 0.387297 0.500000 Ni\n0.452123 0.849792 0.500000 C\n0.150208 0.547877 0.500000 C\n",
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"density": 7.493090078739988,
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"volume": 51.65156254268109,
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"formula_full": "Sm1 Ni1 C2",
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"updated_at": "2021-11-28T01:35:24.504000Z",
"spacegroup": 38
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{
"id": "mp-975322",
"created_at": "2022-09-04T14:44:09.454674Z",
"structure_string": "Rb1 Fe1 O3\n1.0\n4.045439 0.000000 0.000000\n0.000000 4.045439 0.000000\n0.000000 0.000000 4.045439\nRb Fe O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"formula_full": "Rb1 Fe1 O3",
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"energy": -30.11697393,
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"spacegroup": 221
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{
"id": "mp-1077485",
"created_at": "2022-09-04T14:44:17.520774Z",
"structure_string": "Ho2 Sn2 Ge2\n1.0\n2.130221 -8.117051 0.000000\n2.130221 8.117051 0.000000\n0.000000 0.000000 4.094937\nHo Sn Ge\n2 2 2\ndirect\n0.906113 0.093887 0.750000 Ho\n0.093887 0.906113 0.250000 Ho\n0.256006 0.743994 0.750000 Sn\n0.743994 0.256006 0.250000 Sn\n0.554893 0.445107 0.750000 Ge\n0.445107 0.554893 0.250000 Ge\n",
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"density": 8.355467806254104,
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"volume": 141.61203268066473,
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"formula_full": "Ho2 Sn2 Ge2",
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"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:36:25.386000Z",
"spacegroup": 63
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{
"id": "mp-1111184",
"created_at": "2022-09-04T14:47:59.670679Z",
"structure_string": "Na2 In1 Ag1 Br6\n1.0\n0.000000 5.508324 5.508324\n5.508324 0.000000 5.508324\n5.508324 5.508324 0.000000\nNa In Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ag\n0.754300 0.245700 0.245700 Br\n0.245700 0.245700 0.754300 Br\n0.245700 0.754300 0.754300 Br\n0.245700 0.754300 0.245700 Br\n0.754300 0.245700 0.754300 Br\n0.754300 0.754300 0.245700 Br\n",
"nsites": 10,
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"elements": [
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"Ag",
"Br"
],
"chemical_system": "Ag-Br-In-Na",
"density": 3.7163308174085263,
"density_atomic": 0.029916554321375917,
"volume": 334.26309368973085,
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"formula_full": "Na2 In1 Ag1 Br6",
"formula_reduced": "Na2InAgBr6",
"formula_anonymous": "ABC2D6",
"energy": -30.117810670000004,
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"updated_at": "2021-11-28T01:38:28.525000Z",
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{
"id": "mp-862424",
"created_at": "2022-09-04T14:45:16.067095Z",
"structure_string": "Sc2 Tc1 Ni1\n1.0\n0.000000 3.205528 3.205528\n3.205528 0.000000 3.205528\n3.205529 3.205528 0.000000\nSc Tc Ni\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 4,
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"elements": [
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"density": 6.216165692114997,
"density_atomic": 0.060719921810473795,
"volume": 65.87623766192047,
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"formula_full": "Sc2 Tc1 Ni1",
"formula_reduced": "Sc2TcNi",
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"spacegroup": 225
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{
"id": "mp-1221851",
"created_at": "2022-09-04T14:46:26.667149Z",
"structure_string": "Mn3 Ga1\n1.0\n-1.843708 -1.843708 0.000000\n0.000000 1.843708 -1.843708\n3.527869 -5.371577 -5.371577\nMn Ga\n3 1\ndirect\n0.493290 0.246645 0.260064 Mn\n0.000000 0.500000 0.500000 Mn\n0.506710 0.753355 0.739936 Mn\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"density": 8.028258112728171,
"density_atomic": 0.08245568520169529,
"volume": 48.5109060729479,
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"formula_full": "Mn3 Ga1",
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"formula_anonymous": "AB3",
"energy": -30.12148511,
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{
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"created_at": "2022-09-04T14:43:08.838398Z",
"structure_string": "Li1 Ti1 Ir2\n1.0\n0.000000 3.019771 3.019771\n3.019771 0.000000 3.019771\n3.019771 3.019771 0.000000\nLi Ti Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
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"formula_full": "Li1 Ti1 Ir2",
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{
"id": "mp-3077",
"created_at": "2022-09-04T14:39:35.144102Z",
"structure_string": "Sm2 Al2 Ge2\n1.0\n-2.112945 2.112945 7.355866\n2.112945 -2.112945 7.355866\n2.112945 2.112945 -7.355866\nSm Al Ge\n2 2 2\ndirect\n0.334980 0.334980 0.000000 Sm\n0.084980 0.584980 0.500000 Sm\n0.919088 0.919088 0.000000 Al\n0.669088 0.169088 0.500000 Al\n0.503532 0.003532 0.500000 Ge\n0.753532 0.753532 0.000000 Ge\n",
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{
"id": "mp-22261",
"created_at": "2022-09-04T14:46:23.685947Z",
"structure_string": "In2 Cu2 Te4\n1.0\n-3.144168 3.144168 6.300005\n3.144168 -3.144168 6.300005\n3.144168 3.144168 -6.300005\nIn Cu Te\n2 2 4\ndirect\n0.250000 0.750000 0.500000 In\n0.500000 0.500000 0.000000 In\n0.750000 0.250000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.089984 0.125000 0.464984 Te\n0.875000 0.339984 0.964984 Te\n0.375000 0.910016 0.035016 Te\n0.660016 0.625000 0.535016 Te\n",
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"volume": 249.12216650389306,
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"formula_full": "In2 Cu2 Te4",
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{
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"created_at": "2022-09-04T14:41:01.914601Z",
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]
}