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{
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{
"id": "mp-1228816",
"created_at": "2022-09-04T14:41:01.171314Z",
"structure_string": "Al1 V1 Fe2\n1.0\n2.873895 0.000000 0.000000\n0.000000 2.873895 0.000000\n0.000000 0.000000 5.692624\nAl V Fe\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.740929 Fe\n0.000000 0.000000 0.259071 Fe\n",
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{
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"updated_at": "2021-11-28T01:35:22.317000Z",
"spacegroup": 71
},
{
"id": "mp-978280",
"created_at": "2022-09-04T14:41:04.435000Z",
"structure_string": "Mg3 Ga1\n1.0\n-2.183014 2.183014 4.365708\n2.183014 -2.183014 4.365708\n2.183014 2.183014 -4.365708\nMg Ga\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ga-Mg",
"density": 2.846142368998619,
"density_atomic": 0.04806536820491796,
"volume": 83.22000120641388,
"volume_molar": 12.529064032809854,
"formula_full": "Mg3 Ga1",
"formula_reduced": "Mg3Ga",
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"energy": -8.1025905,
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"energy_uncorrected": -8.1025905,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.736000Z",
"spacegroup": 139
},
{
"id": "mp-1218948",
"created_at": "2022-09-04T14:41:08.122025Z",
"structure_string": "Sn2 P2\n1.0\n2.088154 -3.616789 0.000000\n2.088154 3.616789 0.000000\n0.000000 0.000000 6.877154\nSn P\n2 2\ndirect\n0.333333 0.666667 0.666112 Sn\n0.666667 0.333333 0.333888 Sn\n0.000000 0.000000 0.840907 P\n0.000000 0.000000 0.159093 P\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "P-Sn",
"density": 4.785522252094972,
"density_atomic": 0.03850663323412113,
"volume": 103.8782065334021,
"volume_molar": 15.63922954101248,
"formula_full": "Sn2 P2",
"formula_reduced": "SnP",
"formula_anonymous": "AB",
"energy": -18.77634985,
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"updated_at": "2021-11-28T01:35:16.383000Z",
"spacegroup": 164
},
{
"id": "mp-1095725",
"created_at": "2022-09-04T14:41:07.364724Z",
"structure_string": "In1 Hg1 Pb2\n1.0\n-5.736310 6.043410 8.564927\n5.736310 -6.043410 8.564927\n5.736310 6.043410 -8.564927\nIn Hg Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Hg\n0.000000 0.244667 0.244667 Pb\n0.000000 0.755333 0.755333 Pb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-In-Pb",
"density": 1.0203740094064706,
"density_atomic": 0.003367919186753148,
"volume": 1187.6769536908666,
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"formula_full": "In1 Hg1 Pb2",
"formula_reduced": "InHgPb2",
"formula_anonymous": "ABC2",
"energy": -6.00226267,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.369000Z",
"spacegroup": 71
},
{
"id": "mp-1183840",
"created_at": "2022-09-04T14:41:00.885444Z",
"structure_string": "Ce3 Er1\n1.0\n4.842396 0.000000 0.000000\n0.000000 4.842396 0.000000\n0.000000 0.000000 4.842396\nCe Er\n3 1\ndirect\n0.000000 0.500000 0.500000 Ce\n0.500000 0.000000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n0.000000 0.000000 0.000000 Er\n",
"nsites": 4,
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"elements": [
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"Er"
],
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"density": 8.593204590220369,
"density_atomic": 0.03522727785044677,
"volume": 113.54837058320332,
"volume_molar": 17.09510676801734,
"formula_full": "Ce3 Er1",
"formula_reduced": "Ce3Er",
"formula_anonymous": "AB3",
"energy": -21.98110535,
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"is_stable": null,
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"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:09.981000Z",
"spacegroup": 221
},
{
"id": "mp-976406",
"created_at": "2022-09-04T14:41:07.351561Z",
"structure_string": "Mg1 Mn1 Pt2\n1.0\n0.000000 3.138486 3.138486\n3.138486 0.000000 3.138486\n3.138486 3.138486 0.000000\nMg Mn Pt\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 4,
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"elements": [
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"Mn",
"Pt"
],
"chemical_system": "Mg-Mn-Pt",
"density": 12.607001914116587,
"density_atomic": 0.06469480505269001,
"volume": 61.82876657163186,
"volume_molar": 9.308538382788743,
"formula_full": "Mg1 Mn1 Pt2",
"formula_reduced": "MgMnPt2",
"formula_anonymous": "ABC2",
"energy": -25.25508475,
"energy_per_atom": -6.3137711875,
"energy_above_hull": null,
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"energy_uncorrected": -25.25508475,
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"updated_at": "2021-11-28T01:35:09.402000Z",
"spacegroup": 225
},
{
"id": "mp-978849",
"created_at": "2022-09-04T14:41:07.333905Z",
"structure_string": "Sm3 Mg1\n1.0\n-2.478987 2.478987 5.024726\n2.478987 -2.478987 5.024726\n2.478987 2.478987 -5.024726\nSm Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Sm\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
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"elements": [
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"Mg"
],
"chemical_system": "Mg-Sm",
"density": 6.39107180812844,
"density_atomic": 0.03238464322527449,
"volume": 123.5153332453023,
"volume_molar": 18.59566807053795,
"formula_full": "Sm3 Mg1",
"formula_reduced": "Sm3Mg",
"formula_anonymous": "AB3",
"energy": -15.71625007,
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"updated_at": "2021-11-28T01:35:14.601000Z",
"spacegroup": 139
},
{
"id": "mp-1095928",
"created_at": "2022-09-04T14:41:01.374314Z",
"structure_string": "In2 Ga1 Hg1\n1.0\n-5.766367 6.009294 8.509610\n5.766367 -6.009294 8.509610\n5.766367 6.009294 -8.509610\nIn Ga Hg\n2 1 1\ndirect\n0.000000 0.236442 0.236442 In\n0.000000 0.763558 0.763558 In\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.70384887689947,
"density_atomic": 0.003391287520864182,
"volume": 1179.4930318915287,
"volume_molar": 177.5768265872489,
"formula_full": "In2 Ga1 Hg1",
"formula_reduced": "In2GaHg",
"formula_anonymous": "ABC2",
"energy": -5.01049337,
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"updated_at": "2021-11-28T01:34:58.055000Z",
"spacegroup": 71
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{
"id": "mp-1096277",
"created_at": "2022-09-04T14:40:59.995176Z",
"structure_string": "Cd1 Pd2 Pb1\n1.0\n-5.242630 5.886405 8.324783\n5.242630 -5.886405 8.324783\n5.242630 5.886405 -8.324783\nCd Pd Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.257755 0.257755 Pd\n0.000000 0.742245 0.742245 Pd\n0.000000 0.500000 0.500000 Pb\n",
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"elements": [
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"density": 0.86039223797636,
"density_atomic": 0.003892492017252772,
"volume": 1027.6193200321845,
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"formula_full": "Cd1 Pd2 Pb1",
"formula_reduced": "CdPd2Pb",
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"updated_at": "2021-11-28T01:35:00.354000Z",
"spacegroup": 71
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{
"id": "mp-1188041",
"created_at": "2022-09-04T14:41:01.233378Z",
"structure_string": "Zr3 Mn1\n1.0\n-2.156115 2.156115 4.522781\n2.156115 -2.156115 4.522781\n2.156115 2.156115 -4.522781\nZr Mn\n3 1\ndirect\n0.750000 0.250000 0.500000 Zr\n0.250000 0.750000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Mn\n",
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"density": 6.488144894458336,
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"volume": 84.10259423548821,
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"formula_full": "Zr3 Mn1",
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"energy": -34.24545082,
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"updated_at": "2021-11-28T01:35:08.634000Z",
"spacegroup": 139
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{
"id": "mp-1185042",
"created_at": "2022-09-04T14:41:07.168883Z",
"structure_string": "K1 Hg3\n1.0\n-2.542192 2.542192 4.894626\n2.542192 -2.542192 4.894626\n2.542192 2.542192 -4.894626\nK Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 8.410497537707924,
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"volume": 126.53078416875049,
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"formula_full": "K1 Hg3",
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"energy": -2.88190352,
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"updated_at": "2021-11-28T01:35:10.991000Z",
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}
]
}