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{
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{
"id": "mp-1093948",
"created_at": "2022-09-04T14:46:16.483274Z",
"structure_string": "Sr1 La1 Ag2\n1.0\n-5.906696 6.244857 8.825899\n5.906696 -6.244857 8.825899\n5.906696 6.244857 -8.825899\nSr La Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 La\n0.000000 0.256933 0.256933 Ag\n0.000000 0.743067 0.743067 Ag\n",
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"density": 0.5639525090721087,
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"volume": 1302.225100498079,
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{
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"created_at": "2022-09-04T14:40:06.088449Z",
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"nsites": 4,
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"elements": [
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"chemical_system": "Ag-Li-Y",
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"volume": 1305.064409709393,
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"formula_full": "Li1 Y2 Ag1",
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"updated_at": "2021-11-28T01:34:47.693000Z",
"spacegroup": 71
},
{
"id": "mp-1093567",
"created_at": "2022-09-04T14:43:14.473717Z",
"structure_string": "Y2 Cd1 Pd1\n1.0\n-5.803976 6.300111 8.924080\n5.803976 -6.300111 8.924080\n5.803976 6.300111 -8.924080\nY Cd Pd\n2 1 1\ndirect\n0.000000 0.217925 0.217925 Y\n0.000000 0.782075 0.782075 Y\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-Pd-Y",
"density": 0.504604719204333,
"density_atomic": 0.0030645219470913374,
"volume": 1305.260679825303,
"volume_molar": 196.51158856003167,
"formula_full": "Y2 Cd1 Pd1",
"formula_reduced": "Y2CdPd",
"formula_anonymous": "ABC2",
"energy": -11.81513611,
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -11.81513611,
"band_gap": 0.0474000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.9993308,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.003000Z",
"spacegroup": 71
},
{
"id": "mp-1096706",
"created_at": "2022-09-04T14:41:31.826503Z",
"structure_string": "Sr2 Pd1 Au1\n1.0\n-5.768863 6.327031 8.943889\n5.768863 -6.327031 8.943889\n5.768863 6.327031 -8.943889\nSr Pd Au\n2 1 1\ndirect\n0.000000 0.236115 0.236115 Sr\n0.000000 0.763885 0.763885 Sr\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Pd",
"Au"
],
"chemical_system": "Au-Pd-Sr",
"density": 0.6086523746894209,
"density_atomic": 0.003063256837757901,
"volume": 1305.7997457789834,
"volume_molar": 196.59274683633137,
"formula_full": "Sr2 Pd1 Au1",
"formula_reduced": "Sr2PdAu",
"formula_anonymous": "ABC2",
"energy": -9.19921192,
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"energy_uncorrected": -9.19921192,
"band_gap": 0.0,
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"total_magnetization": 0.0004376,
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"updated_at": "2021-11-28T01:35:09.430000Z",
"spacegroup": 71
},
{
"id": "mp-1097418",
"created_at": "2022-09-04T14:42:39.479771Z",
"structure_string": "Y1 Sc1 Al2\n1.0\n-5.677318 6.250923 9.208680\n5.677318 -6.250923 9.208680\n5.677318 6.250923 -9.208680\nY Sc Al\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.241130 0.241130 Al\n0.000000 0.758870 0.758870 Al\n",
"nsites": 4,
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"elements": [
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"Sc",
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],
"chemical_system": "Al-Sc-Y",
"density": 0.23859282550594907,
"density_atomic": 0.0030599564703782476,
"volume": 1307.208137998627,
"volume_molar": 196.80478524113093,
"formula_full": "Y1 Sc1 Al2",
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"formula_anonymous": "ABC2",
"energy": -10.66818951,
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"energy_uncorrected": -10.66818951,
"band_gap": 0.0097999999999998,
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"total_magnetization": 1.3722803,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.768000Z",
"spacegroup": 71
},
{
"id": "mp-1097367",
"created_at": "2022-09-04T14:47:10.336499Z",
"structure_string": "Ca2 Sn1 Au1\n1.0\n-5.890121 6.264182 8.857264\n5.890121 -6.264182 8.857264\n5.890121 6.264182 -8.857264\nCa Sn Au\n2 1 1\ndirect\n0.000000 0.254179 0.254179 Ca\n0.000000 0.745821 0.745821 Ca\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Sn",
"Au"
],
"chemical_system": "Au-Ca-Sn",
"density": 0.5028199005944716,
"density_atomic": 0.0030599323618118405,
"volume": 1307.2184372178504,
"volume_molar": 196.80633582482795,
"formula_full": "Ca2 Sn1 Au1",
"formula_reduced": "Ca2SnAu",
"formula_anonymous": "ABC2",
"energy": -7.79662906,
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -7.79662906,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.0295887,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.281000Z",
"spacegroup": 71
},
{
"id": "mp-1097590",
"created_at": "2022-09-04T14:41:03.030645Z",
"structure_string": "Cd1 In1 Hg2\n1.0\n-6.047472 6.318742 8.554543\n6.047472 -6.318742 8.554543\n6.047472 6.318742 -8.554543\nCd In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 In\n0.248016 0.000000 0.248016 Hg\n0.751984 0.000000 0.751984 Hg\n",
"nsites": 4,
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"elements": [
"Cd",
"In",
"Hg"
],
"chemical_system": "Cd-Hg-In",
"density": 0.7980501792520864,
"density_atomic": 0.003059135381358406,
"volume": 1307.55899996286,
"volume_molar": 196.85760874452944,
"formula_full": "Cd1 In1 Hg2",
"formula_reduced": "CdInHg2",
"formula_anonymous": "ABC2",
"energy": -1.64170846,
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"energy_above_hull": null,
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"energy_uncorrected": -1.64170846,
"band_gap": 0.0,
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"total_magnetization": 1.0001024,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.929000Z",
"spacegroup": 71
},
{
"id": "mp-1096142",
"created_at": "2022-09-04T14:48:09.203223Z",
"structure_string": "La2 Hg1 Ir1\n1.0\n-5.661446 6.233446 9.264917\n5.661446 -6.233446 9.264917\n5.661446 6.233446 -9.264917\nLa Hg Ir\n2 1 1\ndirect\n0.000000 0.214596 0.214596 La\n0.000000 0.785404 0.785404 La\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
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"Hg",
"Ir"
],
"chemical_system": "Hg-Ir-La",
"density": 0.85146572304556,
"density_atomic": 0.0030584606419968687,
"volume": 1307.8474658377165,
"volume_molar": 196.9010382971005,
"formula_full": "La2 Hg1 Ir1",
"formula_reduced": "La2HgIr",
"formula_anonymous": "ABC2",
"energy": -13.4428451,
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"energy_uncorrected": -13.4428451,
"band_gap": 0.0405999999999999,
"is_gap_direct": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:32.509000Z",
"spacegroup": 71
},
{
"id": "mp-1093688",
"created_at": "2022-09-04T14:39:18.788297Z",
"structure_string": "Ca1 Cd1 Ag2\n1.0\n-5.769184 6.333548 8.951557\n5.769184 -6.333548 8.951557\n5.769184 6.333548 -8.951557\nCa Cd Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Cd\n0.000000 0.248274 0.248274 Ag\n0.000000 0.751726 0.751726 Ag\n",
"nsites": 4,
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"elements": [
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"Cd",
"Ag"
],
"chemical_system": "Ag-Ca-Cd",
"density": 0.4673506065253821,
"density_atomic": 0.0030573134148158595,
"volume": 1308.3382229037575,
"volume_molar": 196.9749235003671,
"formula_full": "Ca1 Cd1 Ag2",
"formula_reduced": "CaCdAg2",
"formula_anonymous": "ABC2",
"energy": -4.94939328,
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"energy_uncorrected": -4.94939328,
"band_gap": 0.5796000000000001,
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"total_magnetization": 5.49e-05,
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"updated_at": "2021-11-28T01:34:36.043000Z",
"spacegroup": 71
},
{
"id": "mp-1097077",
"created_at": "2022-09-04T14:47:31.618638Z",
"structure_string": "In2 Hg1 Pb1\n1.0\n-5.808414 6.305594 8.935032\n5.808414 -6.305594 8.935032\n5.808414 6.305594 -8.935032\nIn Hg Pb\n2 1 1\ndirect\n0.000000 0.256258 0.256258 In\n0.000000 0.743742 0.743742 In\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.8086101715758113,
"density_atomic": 0.0030557675870642896,
"volume": 1309.0000747873778,
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"formula_full": "In2 Hg1 Pb1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.581000Z",
"spacegroup": 71
},
{
"id": "mp-1093613",
"created_at": "2022-09-04T14:41:59.804921Z",
"structure_string": "Y2 Ag1 Hg1\n1.0\n-5.907940 6.262561 8.848301\n5.907940 -6.262561 8.848301\n5.907940 6.262561 -8.848301\nY Ag Hg\n2 1 1\ndirect\n0.000000 0.251997 0.251997 Y\n0.000000 0.748003 0.748003 Y\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"density_atomic": 0.0030545839599105625,
"volume": 1309.507301975461,
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"formula_full": "Y2 Ag1 Hg1",
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"formula_anonymous": "ABC2",
"energy": -8.5002725,
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"updated_at": "2021-11-28T01:35:34.091000Z",
"spacegroup": 71
},
{
"id": "mp-1093912",
"created_at": "2022-09-04T14:47:43.942060Z",
"structure_string": "Ca1 Hg2 Bi1\n1.0\n-5.832317 6.324067 8.886011\n5.832317 -6.324067 8.886011\n5.832317 6.324067 -8.886011\nCa Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.254806 0.254806 Hg\n0.000000 0.745194 0.745194 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"Hg",
"Bi"
],
"chemical_system": "Bi-Ca-Hg",
"density": 0.8236018048195557,
"density_atomic": 0.003051093876047571,
"volume": 1311.0052205871998,
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"formula_full": "Ca1 Hg2 Bi1",
"formula_reduced": "CaHg2Bi",
"formula_anonymous": "ABC2",
"energy": -3.32733968,
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"energy_above_hull": null,
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"energy_uncorrected": -3.32733968,
"band_gap": 0.2208000000000001,
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"is_magnetic": true,
"total_magnetization": 0.9999592,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.993000Z",
"spacegroup": 71
}
]
}