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{
"id": "mp-867127",
"created_at": "2022-09-04T14:43:18.542511Z",
"structure_string": "Sc1 Cd1 Ag2\n1.0\n0.000000 3.395771 3.395771\n3.395771 0.000000 3.395771\n3.395771 3.395771 0.000000\nSc Cd Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n",
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{
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{
"id": "mp-867853",
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"structure_string": "Sm1 Cd1 Ag2\n1.0\n0.000000 3.553189 3.553189\n3.553189 0.000000 3.553189\n3.553189 3.553189 0.000000\nSm Cd Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n",
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"density": 8.856310479505012,
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"formula_full": "Sm1 Cd1 Ag2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:45.721000Z",
"spacegroup": 225
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{
"id": "mp-1096465",
"created_at": "2022-09-04T14:47:15.663126Z",
"structure_string": "Sr2 Cd1 Ag1\n1.0\n-6.700585 6.815479 9.457945\n6.700585 -6.815479 9.457945\n6.700585 6.815479 -9.457945\nSr Cd Ag\n2 1 1\ndirect\n0.766492 0.000000 0.766492 Sr\n0.233508 0.000000 0.233508 Sr\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"density": 0.38014631753407924,
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"volume": 1727.690241617296,
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"formula_full": "Sr2 Cd1 Ag1",
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"updated_at": "2021-11-28T01:38:03.253000Z",
"spacegroup": 71
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{
"id": "mp-1226773",
"created_at": "2022-09-04T14:48:16.565666Z",
"structure_string": "Cd1 Ag2 Sn1 S4\n1.0\n4.142784 0.000000 0.000000\n0.000000 6.828983 0.000000\n0.000000 0.015098 7.245203\nCd Ag Sn S\n1 2 1 4\ndirect\n0.000000 0.118697 0.169264 Cd\n0.500000 0.123759 0.658033 Ag\n0.500000 0.642640 0.328746 Ag\n0.000000 0.637483 0.848645 Sn\n0.500000 0.506710 0.677457 S\n0.000000 0.503776 0.157476 S\n0.500000 0.011414 0.331267 S\n0.000000 0.990720 0.829111 S\n",
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"formula_full": "Cd1 Ag2 Sn1 S4",
"formula_reduced": "CdAg2SnS4",
"formula_anonymous": "ABC2D4",
"energy": -31.47121023,
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{
"id": "mp-1226771",
"created_at": "2022-09-04T14:47:01.219523Z",
"structure_string": "Cd1 Ag2 Sn3 S8\n1.0\n6.745229 -3.843950 0.000000\n6.745229 3.843950 0.000000\n4.554650 0.000000 6.287227\nCd Ag Sn S\n1 2 3 8\ndirect\n0.500000 0.500000 0.500000 Cd\n0.119477 0.119477 0.119477 Ag\n0.880523 0.880523 0.880523 Ag\n0.000000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.255698 0.255698 0.255698 S\n0.718734 0.254194 0.254194 S\n0.254194 0.254194 0.718734 S\n0.254194 0.718734 0.254194 S\n0.744302 0.744302 0.744302 S\n0.281266 0.745806 0.745806 S\n0.745806 0.745806 0.281266 S\n0.745806 0.281266 0.745806 S\n",
"nsites": 14,
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"elements": [
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"Sn",
"S"
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"chemical_system": "Ag-Cd-S-Sn",
"density": 4.791611968330747,
"density_atomic": 0.042940240322501426,
"volume": 326.0345050436003,
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"formula_full": "Cd1 Ag2 Sn3 S8",
"formula_reduced": "CdAg2Sn3S8",
"formula_anonymous": "AB2C3D8",
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"updated_at": "2021-11-28T01:37:54.859000Z",
"spacegroup": 166
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{
"id": "mp-977398",
"created_at": "2022-09-04T14:42:40.150648Z",
"structure_string": "Tb1 Cd1 Ag2\n1.0\n0.000000 3.515259 3.515259\n3.515259 0.000000 3.515259\n3.515259 3.515259 0.000000\nTb Cd Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
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"density": 9.30981279968471,
"density_atomic": 0.04604240590205539,
"volume": 86.87643318442304,
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"formula_full": "Tb1 Cd1 Ag2",
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{
"id": "mp-867372",
"created_at": "2022-09-04T14:41:12.004982Z",
"structure_string": "Th1 Cd1 Ag2\n1.0\n0.000000 3.588438 3.588438\n3.588438 0.000000 3.588438\n3.588438 3.588438 0.000000\nTh Cd Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n",
"nsites": 4,
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"elements": [
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"density": 10.065482380860372,
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"volume": 92.41582327341769,
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"formula_full": "Th1 Cd1 Ag2",
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{
"id": "mp-865873",
"created_at": "2022-09-04T14:47:15.926527Z",
"structure_string": "Tm1 Cd1 Ag2\n1.0\n0.000000 3.470836 3.470836\n3.470836 0.000000 3.470836\n3.470836 3.470836 0.000000\nTm Cd Ag\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n",
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{
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{
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"structure_string": "Y1 Cd1 Ag2\n1.0\n0.000000 3.510486 3.510486\n3.510486 0.000000 3.510486\n3.510486 3.510486 0.000000\nY Cd Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n",
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{
"id": "mp-1096041",
"created_at": "2022-09-04T14:47:01.207030Z",
"structure_string": "Y1 Cd2 Ag1\n1.0\n-6.037173 6.354821 8.972139\n6.037173 -6.354821 8.972139\n6.037173 6.354821 -8.972139\nY Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.271530 0.271530 Cd\n0.000000 0.728470 0.728470 Cd\n0.000000 0.500000 0.500000 Ag\n",
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"formula_full": "Y1 Cd2 Ag1",
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"updated_at": "2021-11-28T01:37:49.404000Z",
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]
}