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{
"id": "mp-867872",
"created_at": "2022-09-04T14:40:37.278144Z",
"structure_string": "Li1 Cd1 Ag2\n1.0\n0.000000 3.317705 3.317705\n3.317705 0.000000 3.317705\n3.317705 3.317705 0.000000\nLi Cd Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\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-1096684",
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"spacegroup": 71
},
{
"id": "mp-867225",
"created_at": "2022-09-04T14:48:09.907370Z",
"structure_string": "La1 Cd1 Ag2\n1.0\n0.000000 3.633884 3.633884\n3.633884 0.000000 3.633884\n3.633884 3.633884 0.000000\nLa Cd Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 La\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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"density": 8.081127663522192,
"density_atomic": 0.04167895450986385,
"volume": 95.97169715601551,
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"formula_full": "La1 Cd1 Ag2",
"formula_reduced": "LaCdAg2",
"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:32.608000Z",
"spacegroup": 225
},
{
"id": "mp-1097134",
"created_at": "2022-09-04T14:43:10.658600Z",
"structure_string": "La2 Cd1 Ag1\n1.0\n-5.849968 6.021407 8.404536\n5.849968 -6.021407 8.404536\n5.849968 6.021407 -8.404536\nLa Cd Ag\n2 1 1\ndirect\n0.000000 0.238918 0.238918 La\n0.000000 0.761082 0.761082 La\n0.000000 0.500000 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-La",
"density": 0.6984443933760851,
"density_atomic": 0.0033778066366839904,
"volume": 1184.2004087974733,
"volume_molar": 178.28553874569818,
"formula_full": "La2 Cd1 Ag1",
"formula_reduced": "La2CdAg",
"formula_anonymous": "ABC2",
"energy": -5.8990746,
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"band_gap": 0.0,
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"total_magnetization": 1.9516966,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.365000Z",
"spacegroup": 71
},
{
"id": "mp-1097341",
"created_at": "2022-09-04T14:40:36.829506Z",
"structure_string": "La1 Cd2 Ag1\n1.0\n-5.942965 6.377883 8.961954\n5.942965 -6.377883 8.961954\n5.942965 6.377883 -8.961954\nLa Cd Ag\n1 2 1\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.231785 0.231785 Cd\n0.000000 0.768215 0.768215 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ag-Cd-La",
"density": 0.5763369767867764,
"density_atomic": 0.0029438628226609864,
"volume": 1358.758964313548,
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"formula_full": "La1 Cd2 Ag1",
"formula_reduced": "LaCd2Ag",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:06.597000Z",
"spacegroup": 71
},
{
"id": "mp-1226727",
"created_at": "2022-09-04T14:42:23.569621Z",
"structure_string": "Cd1 In1 Ag1 Te3\n1.0\n2.323576 7.724120 0.000000\n-2.323576 7.724120 0.000000\n0.000000 2.821728 5.974407\nCd In Ag Te\n1 1 1 3\ndirect\n0.664152 0.664152 0.335615 Cd\n0.335145 0.335145 0.655274 In\n0.000635 0.000635 0.005405 Ag\n0.499600 0.499600 0.245597 Te\n0.164544 0.164544 0.590751 Te\n0.835927 0.835927 0.917357 Te\n",
"nsites": 6,
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"elements": [
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"Ag",
"Te"
],
"chemical_system": "Ag-Cd-In-Te",
"density": 5.558795046763238,
"density_atomic": 0.027978250567770046,
"volume": 214.4522934150782,
"volume_molar": 21.524364954173702,
"formula_full": "Cd1 In1 Ag1 Te3",
"formula_reduced": "CdInAgTe3",
"formula_anonymous": "ABCD3",
"energy": -19.17936512,
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"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.543000Z",
"spacegroup": 8
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{
"id": "mp-1226959",
"created_at": "2022-09-04T14:47:10.701165Z",
"structure_string": "Cd2 In1 Ag1 Te4\n1.0\n0.000000 0.000000 -6.614266\n6.614266 0.000000 0.000000\n3.307133 -6.557363 -3.307133\nCd In Ag Te\n2 1 1 4\ndirect\n0.250000 0.750000 0.500000 Cd\n0.750000 0.250000 0.500000 Cd\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 Ag\n0.370960 0.874413 0.754627 Te\n0.629040 0.629040 0.245373 Te\n0.874413 0.370960 0.754627 Te\n0.125587 0.125587 0.245373 Te\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Ag-Cd-In-Te",
"density": 5.544730592384643,
"density_atomic": 0.027886720765232218,
"volume": 286.874891721726,
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"formula_full": "Cd2 In1 Ag1 Te4",
"formula_reduced": "Cd2InAgTe4",
"formula_anonymous": "ABC2D4",
"energy": -24.64662107,
"energy_per_atom": -3.08082763375,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:59.528000Z",
"spacegroup": 121
},
{
"id": "mp-1226985",
"created_at": "2022-09-04T14:40:16.163858Z",
"structure_string": "Cd2 In3 Ag3 Te8\n1.0\n6.606447 0.000000 0.000000\n0.000000 6.606447 0.000000\n0.000000 0.000000 12.999350\nCd In Ag Te\n2 3 3 8\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.500000 Cd\n0.500000 0.000000 0.249544 In\n0.000000 0.500000 0.750456 In\n0.500000 0.500000 0.000000 In\n0.000000 0.500000 0.249760 Ag\n0.500000 0.000000 0.750240 Ag\n0.000000 0.000000 0.000000 Ag\n0.752724 0.250923 0.372928 Te\n0.248715 0.754895 0.875272 Te\n0.247276 0.749077 0.372928 Te\n0.751285 0.245105 0.875272 Te\n0.245105 0.248715 0.124728 Te\n0.749077 0.752724 0.627072 Te\n0.754895 0.751285 0.124728 Te\n0.250923 0.247276 0.627072 Te\n",
"nsites": 16,
"nelements": 4,
"elements": [
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],
"chemical_system": "Ag-Cd-In-Te",
"density": 5.600941081641309,
"density_atomic": 0.02820086536385799,
"volume": 567.3584761872405,
"volume_molar": 21.354453781116693,
"formula_full": "Cd2 In3 Ag3 Te8",
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"formula_anonymous": "A2B3C3D8",
"energy": -52.36122544,
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"spacegroup": 81
},
{
"id": "mp-1226962",
"created_at": "2022-09-04T14:44:55.948772Z",
"structure_string": "Cd2 In1 Ag1 S4\n1.0\n2.089081 7.683322 0.000000\n-2.089081 7.683322 0.000000\n0.000000 3.366838 6.450206\nCd In Ag S\n2 1 1 4\ndirect\n0.502300 0.502300 0.172236 Cd\n0.997785 0.997785 0.658389 Cd\n0.752170 0.752170 0.590542 In\n0.249320 0.249320 0.079075 Ag\n0.061319 0.061319 0.270608 S\n0.565598 0.565598 0.768785 S\n0.811499 0.811499 0.851581 S\n0.307803 0.307803 0.360784 S\n",
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],
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"density": 4.61730834864954,
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"volume": 207.06557093714474,
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"formula_full": "Cd2 In1 Ag1 S4",
"formula_reduced": "Cd2InAgS4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 8
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{
"id": "mp-1096114",
"created_at": "2022-09-04T14:42:39.097587Z",
"structure_string": "Cd1 In1 Ag2\n1.0\n-5.466149 5.793878 8.193090\n5.466149 -5.793878 8.193090\n5.466149 5.793878 -8.193090\nCd In Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 In\n0.000000 0.250491 0.250491 Ag\n0.000000 0.749509 0.749509 Ag\n",
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"volume": 1037.9072099549155,
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"formula_full": "Cd1 In1 Ag2",
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{
"id": "mp-1025377",
"created_at": "2022-09-04T14:48:23.857769Z",
"structure_string": "Cd1 Ag2 I4\n1.0\n-3.290139 3.290139 6.481101\n3.290139 -3.290139 6.481101\n3.290139 3.290139 -6.481101\nCd Ag I\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.860615 0.377877 0.000000 I\n0.377877 0.860615 0.000000 I\n0.139385 0.139385 0.517262 I\n0.622123 0.622123 0.482738 I\n",
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"volume": 280.63205281567184,
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"formula_full": "Cd1 Ag2 I4",
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"updated_at": "2021-11-28T01:39:34.537000Z",
"spacegroup": 121
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{
"id": "mp-864904",
"created_at": "2022-09-04T14:41:28.298054Z",
"structure_string": "Ho1 Cd1 Ag2\n1.0\n0.000000 3.497158 3.497158\n3.497158 0.000000 3.497158\n3.497158 3.497158 0.000000\nHo Cd Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ho\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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"density": 9.571692080450575,
"density_atomic": 0.04676104776323738,
"volume": 85.54128257033456,
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"formula_full": "Ho1 Cd1 Ag2",
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"energy": -12.3102868,
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"updated_at": "2021-11-28T01:35:19.659000Z",
"spacegroup": 225
}
]
}