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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",
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{
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"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",
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"formula_full": "Cd1 Ag2 Sn3 S8",
"formula_reduced": "CdAg2Sn3S8",
"formula_anonymous": "AB2C3D8",
"energy": -60.6538853,
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"spacegroup": 166
},
{
"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",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Ag-Cd-S-Sn",
"density": 4.659150342317154,
"density_atomic": 0.039029330975737964,
"volume": 204.97404900363492,
"volume_molar": 15.429782190587842,
"formula_full": "Cd1 Ag2 Sn1 S4",
"formula_reduced": "CdAg2SnS4",
"formula_anonymous": "ABC2D4",
"energy": -31.47121023,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:44.002000Z",
"spacegroup": 6
},
{
"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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"elements": [
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],
"chemical_system": "Ag-Cd-Sr",
"density": 0.38014631753407924,
"density_atomic": 0.00231522983903387,
"volume": 1727.690241617296,
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"formula_full": "Sr2 Cd1 Ag1",
"formula_reduced": "Sr2CdAg",
"formula_anonymous": "ABC2",
"energy": -3.27183168,
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"updated_at": "2021-11-28T01:38:03.253000Z",
"spacegroup": 71
},
{
"id": "mp-867853",
"created_at": "2022-09-04T14:44:31.489215Z",
"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",
"nsites": 4,
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"elements": [
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"Cd",
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],
"chemical_system": "Ag-Cd-Sm",
"density": 8.856310479505012,
"density_atomic": 0.044583593349046095,
"volume": 89.71910291491979,
"volume_molar": 13.507526665364331,
"formula_full": "Sm1 Cd1 Ag2",
"formula_reduced": "SmCdAg2",
"formula_anonymous": "ABC2",
"energy": -12.46105269,
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"energy_uncorrected": -12.46105269,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.721000Z",
"spacegroup": 225
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{
"id": "mp-1226777",
"created_at": "2022-09-04T14:41:13.011322Z",
"structure_string": "Cd1 Ag2 Sn1 Se4\n1.0\n4.368626 0.000000 0.000000\n0.000000 7.135387 0.000000\n0.000000 0.004333 7.536473\nCd Ag Sn Se\n1 2 1 4\ndirect\n0.000000 0.116347 0.829255 Cd\n0.500000 0.118090 0.338827 Ag\n0.500000 0.641083 0.674075 Ag\n0.000000 0.635209 0.153655 Sn\n0.500000 0.501157 0.328737 Se\n0.000000 0.503377 0.835929 Se\n0.500000 0.009452 0.667559 Se\n0.000000 0.995685 0.171961 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"Sn",
"Se"
],
"chemical_system": "Ag-Cd-Se-Sn",
"density": 5.3910184335305695,
"density_atomic": 0.03405331850633833,
"volume": 234.925709179003,
"volume_molar": 17.684446110234752,
"formula_full": "Cd1 Ag2 Sn1 Se4",
"formula_reduced": "CdAg2SnSe4",
"formula_anonymous": "ABC2D4",
"energy": -28.84080246,
"energy_per_atom": -3.6051003075,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.900000Z",
"spacegroup": 6
},
{
"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",
"nsites": 4,
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"elements": [
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"Cd",
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],
"chemical_system": "Ag-Cd-Sc",
"density": 7.911029804167135,
"density_atomic": 0.05107575679061626,
"volume": 78.31504125132979,
"volume_molar": 11.790605051017865,
"formula_full": "Sc1 Cd1 Ag2",
"formula_reduced": "ScCdAg2",
"formula_anonymous": "ABC2",
"energy": -13.9023199,
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"updated_at": "2021-11-28T01:36:14.389000Z",
"spacegroup": 225
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{
"id": "mp-972882",
"created_at": "2022-09-04T14:46:31.628463Z",
"structure_string": "Sc2 Cd1 Ag1\n1.0\n0.000000 3.497391 3.497391\n3.497391 0.000000 3.497391\n3.497391 3.497391 0.000000\nSc Cd Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
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],
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"density": 6.020267155341253,
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"volume": 85.55838140898268,
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"formula_full": "Sc2 Cd1 Ag1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:30.290000Z",
"spacegroup": 225
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{
"id": "mp-1096118",
"created_at": "2022-09-04T14:41:55.351957Z",
"structure_string": "Sc1 Cd2 Ag1\n1.0\n-5.803700 6.042112 8.504609\n5.803700 -6.042112 8.504609\n5.803700 6.042112 -8.504609\nSc Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.261758 0.261758 Cd\n0.000000 0.738242 0.738242 Cd\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"volume": 1192.91107202702,
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"formula_full": "Sc1 Cd2 Ag1",
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"updated_at": "2021-11-28T01:35:27.394000Z",
"spacegroup": 71
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{
"id": "mp-542065",
"created_at": "2022-09-04T14:45:18.413837Z",
"structure_string": "Cd1 Ag1 Sb1\n1.0\n0.000000 3.347339 3.347339\n3.347339 0.000000 3.347339\n3.347339 3.347339 0.000000\nCd Ag Sb\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Ag\n0.000000 0.000000 0.000000 Sb\n",
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"spacegroup": 216
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{
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"created_at": "2022-09-04T14:41:25.356076Z",
"structure_string": "Cd2 Ag1 Rh1\n1.0\n0.000000 3.309380 3.309380\n3.309380 0.000000 3.309380\n3.309380 3.309380 0.000000\nCd Ag Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Rh\n",
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"updated_at": "2021-11-28T01:35:20.575000Z",
"spacegroup": 225
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{
"id": "mp-1183537",
"created_at": "2022-09-04T14:41:05.056481Z",
"structure_string": "Cd2 Ag1 Pt1\n1.0\n0.000000 3.336686 3.336686\n3.336686 0.000000 3.336686\n3.336686 3.336686 0.000000\nCd Ag Pt\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pt\n",
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"updated_at": "2021-11-28T01:35:12.836000Z",
"spacegroup": 225
}
]
}