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{
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"results": [
{
"id": "mp-1077288",
"created_at": "2022-09-04T14:45:35.544311Z",
"structure_string": "Na4 Cl2\n1.0\n-1.962941 3.548984 6.877575\n1.962941 -3.548984 6.877575\n1.962941 3.548984 -6.877575\nNa Cl\n4 2\ndirect\n0.157151 0.644113 0.513039 Na\n0.368926 0.355887 0.013039 Na\n0.842849 0.355887 0.486961 Na\n0.631074 0.644113 0.986961 Na\n0.145151 0.895151 0.250000 Cl\n0.854849 0.104849 0.750000 Cl\n",
"nsites": 6,
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{
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"structure_string": "Y1 Ga1 Pd2\n1.0\n-4.842602 5.955453 8.420065\n4.842602 -5.955453 8.420065\n4.842602 5.955453 -8.420065\nY Ga Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ga\n0.000000 0.250162 0.250162 Pd\n0.000000 0.749838 0.749838 Pd\n",
"nsites": 4,
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"elements": [
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"band_gap": 0.2320999999999999,
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"updated_at": "2021-11-28T01:37:45.055000Z",
"spacegroup": 71
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{
"id": "mp-867176",
"created_at": "2022-09-04T14:42:38.014892Z",
"structure_string": "Pr1 Cd1 Au2\n1.0\n0.000000 3.590362 3.590362\n3.590362 0.000000 3.590362\n3.590362 3.590362 0.000000\nPr Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cd",
"Au"
],
"chemical_system": "Au-Cd-Pr",
"density": 11.61121440180887,
"density_atomic": 0.04321308575289502,
"volume": 92.56455377598263,
"volume_molar": 13.935919305638922,
"formula_full": "Pr1 Cd1 Au2",
"formula_reduced": "PrCdAu2",
"formula_anonymous": "ABC2",
"energy": -14.81340105,
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"energy_uncorrected": -14.81340105,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0001476,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.797000Z",
"spacegroup": 225
},
{
"id": "mp-1094529",
"created_at": "2022-09-04T14:44:57.842832Z",
"structure_string": "Mg4 Sn2\n1.0\n2.837352 4.848377 0.000000\n-2.837352 4.848377 0.000000\n0.000000 3.331014 5.205097\nMg Sn\n4 2\ndirect\n0.248003 0.415331 0.252942 Mg\n0.584669 0.751997 0.247058 Mg\n0.415331 0.248003 0.752942 Mg\n0.751997 0.584669 0.747058 Mg\n0.094462 0.905538 0.750000 Sn\n0.905538 0.094462 0.250000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 3.880239446299123,
"density_atomic": 0.04189699044261243,
"volume": 143.20837694102113,
"volume_molar": 14.373683399166126,
"formula_full": "Mg4 Sn2",
"formula_reduced": "Mg2Sn",
"formula_anonymous": "AB2",
"energy": -14.81304926,
"energy_per_atom": -2.4688415433333333,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.949000Z",
"spacegroup": 15
},
{
"id": "mp-867861",
"created_at": "2022-09-04T14:44:21.692649Z",
"structure_string": "Sm1 Y1 Mg2\n1.0\n0.000000 3.824762 3.824762\n3.824762 0.000000 3.824762\n3.824762 3.824762 0.000000\nSm Y Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Mg-Sm-Y",
"density": 4.271801731664487,
"density_atomic": 0.03574511906543801,
"volume": 111.90339001745286,
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"formula_full": "Sm1 Y1 Mg2",
"formula_reduced": "SmYMg2",
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"formation_energy_per_atom": null,
"energy_uncorrected": -14.81182921,
"band_gap": 0.0,
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"total_magnetization": 4.06e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.542000Z",
"spacegroup": 225
},
{
"id": "mp-867882",
"created_at": "2022-09-04T14:44:51.817378Z",
"structure_string": "Sm1 Cd1 Au2\n1.0\n0.000000 3.543312 3.543312\n3.543312 0.000000 3.543312\n3.543312 3.543312 0.000000\nSm Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
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"elements": [
"Sm",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Sm",
"density": 12.2563363150794,
"density_atomic": 0.04495746455419155,
"volume": 88.97298901672748,
"volume_molar": 13.395196592416672,
"formula_full": "Sm1 Cd1 Au2",
"formula_reduced": "SmCdAu2",
"formula_anonymous": "ABC2",
"energy": -14.81015089,
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"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -14.81015089,
"band_gap": 0.0,
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"total_magnetization": 0.0012979,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.763000Z",
"spacegroup": 225
},
{
"id": "mp-10618",
"created_at": "2022-09-04T14:41:03.619194Z",
"structure_string": "Li1 In1 Se2\n1.0\n6.634246 -1.979435 0.000000\n6.634246 1.979435 0.000000\n6.043649 0.000000 3.377230\nLi In Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 In\n0.751521 0.751521 0.751521 Se\n0.248479 0.248479 0.248479 Se\n",
"nsites": 4,
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"elements": [
"Li",
"In",
"Se"
],
"chemical_system": "In-Li-Se",
"density": 5.2358296131026245,
"density_atomic": 0.045095846218524464,
"volume": 88.6999654162578,
"volume_molar": 13.35409192859591,
"formula_full": "Li1 In1 Se2",
"formula_reduced": "LiInSe2",
"formula_anonymous": "ABC2",
"energy": -15.75233664,
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"energy_above_hull": null,
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"energy_uncorrected": -14.80833664,
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"total_magnetization": 0.0003251,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:13.112000Z",
"spacegroup": 166
},
{
"id": "mp-865126",
"created_at": "2022-09-04T14:42:17.520394Z",
"structure_string": "Na1 Tl1 Pd2\n1.0\n0.000000 3.335243 3.335243\n3.335243 0.000000 3.335243\n3.335243 3.335243 0.000000\nNa Tl Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
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"elements": [
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"Tl",
"Pd"
],
"chemical_system": "Na-Pd-Tl",
"density": 9.851437121774516,
"density_atomic": 0.053907296440017634,
"volume": 74.2014581356492,
"volume_molar": 11.171290637253168,
"formula_full": "Na1 Tl1 Pd2",
"formula_reduced": "NaTlPd2",
"formula_anonymous": "ABC2",
"energy": -14.80833404,
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"energy_uncorrected": -14.80833404,
"band_gap": 0.0,
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"total_magnetization": 0.0015674,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.245000Z",
"spacegroup": 225
},
{
"id": "mp-1185440",
"created_at": "2022-09-04T14:40:08.946176Z",
"structure_string": "Lu3 Cd1\n1.0\n4.760901 0.000000 0.000000\n0.000000 4.760901 0.000000\n0.000000 0.000000 4.760901\nLu Cd\n3 1\ndirect\n0.000000 0.500000 0.500000 Lu\n0.500000 0.000000 0.500000 Lu\n0.500000 0.500000 0.000000 Lu\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Cd"
],
"chemical_system": "Cd-Lu",
"density": 9.806945037816195,
"density_atomic": 0.037067435393478926,
"volume": 107.91143108604969,
"volume_molar": 16.246445690330773,
"formula_full": "Lu3 Cd1",
"formula_reduced": "Lu3Cd",
"formula_anonymous": "AB3",
"energy": -14.80829008,
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"updated_at": "2021-11-28T01:34:52.405000Z",
"spacegroup": 221
},
{
"id": "mp-1187067",
"created_at": "2022-09-04T14:48:08.257833Z",
"structure_string": "Sn3 Te1\n1.0\n4.865622 0.000000 0.000000\n0.000000 4.865622 0.000000\n0.000000 0.000000 4.865622\nSn Te\n3 1\ndirect\n0.500000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Sn-Te",
"density": 6.973278658780227,
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"volume": 115.19008517966263,
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"formula_full": "Sn3 Te1",
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"spacegroup": 221
},
{
"id": "mp-1096660",
"created_at": "2022-09-04T14:40:25.883395Z",
"structure_string": "Sc1 Pd2 Au1\n1.0\n-4.887124 5.616933 7.936637\n4.887124 -5.616933 7.936637\n4.887124 5.616933 -7.936637\nSc Pd Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.229553 0.229553 Pd\n0.000000 0.770447 0.770447 Pd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"density": 0.8665320172790479,
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"volume": 871.463316607331,
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"formula_full": "Sc1 Pd2 Au1",
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"updated_at": "2021-11-28T01:34:50.687000Z",
"spacegroup": 71
},
{
"id": "mp-1077015",
"created_at": "2022-09-04T14:45:58.193524Z",
"structure_string": "Na4 Cl2\n1.0\n3.215793 -6.631866 0.000000\n3.215793 6.631866 0.000000\n0.000000 0.000000 4.027377\nNa Cl\n4 2\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.696406 0.303594 0.500000 Na\n0.303594 0.696406 0.500000 Na\n0.159353 0.840647 0.000000 Cl\n0.840647 0.159353 0.000000 Cl\n",
"nsites": 6,
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"elements": [
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"density": 1.574348800234572,
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"volume": 171.7813886619577,
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"formula_full": "Na4 Cl2",
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"energy": -16.02938437,
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"updated_at": "2021-11-28T01:37:12.198000Z",
"spacegroup": 65
}
]
}