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{
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"results": [
{
"id": "mp-1096181",
"created_at": "2022-09-04T14:41:10.401644Z",
"structure_string": "Ca2 Ga1 Ag1\n1.0\n-5.948416 6.313936 8.927113\n5.948416 -6.313936 8.927113\n5.948416 6.313936 -8.927113\nCa Ga Ag\n2 1 1\ndirect\n0.000000 0.247694 0.247694 Ca\n0.000000 0.752306 0.752306 Ca\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ag\n",
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"elements": [
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"density": 0.3191321231457882,
"density_atomic": 0.0029825481204618226,
"volume": 1341.1351094582285,
"volume_molar": 201.9126101833865,
"formula_full": "Ca2 Ga1 Ag1",
"formula_reduced": "Ca2GaAg",
"formula_anonymous": "ABC2",
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{
"id": "mp-1096214",
"created_at": "2022-09-04T14:42:24.034429Z",
"structure_string": "Ca2 Mg1 Pb1\n1.0\n-6.482277 6.656142 9.405301\n6.482277 -6.656142 9.405301\n6.482277 6.656142 -9.405301\nCa Mg Pb\n2 1 1\ndirect\n0.000000 0.268108 0.268108 Ca\n0.000000 0.731892 0.731892 Ca\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.3188223093527739,
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"volume": 1623.2404410037243,
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"formula_full": "Ca2 Mg1 Pb1",
"formula_reduced": "Ca2MgPb",
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"energy": -4.18225669,
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"energy_uncorrected": -4.18225669,
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"updated_at": "2021-11-28T01:35:44.145000Z",
"spacegroup": 71
},
{
"id": "mp-1097332",
"created_at": "2022-09-04T14:42:41.469779Z",
"structure_string": "Li2 Ca1 Tl1\n1.0\n-6.068685 6.347169 8.736742\n6.068685 -6.347169 8.736742\n6.068685 6.347169 -8.736742\nLi Ca Tl\n2 1 1\ndirect\n0.272300 0.000000 0.272300 Li\n0.727700 0.000000 0.727700 Li\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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"Ca",
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],
"chemical_system": "Ca-Li-Tl",
"density": 0.3186853800317066,
"density_atomic": 0.002971500661899502,
"volume": 1346.1211876167108,
"volume_molar": 202.66328179615502,
"formula_full": "Li2 Ca1 Tl1",
"formula_reduced": "Li2CaTl",
"formula_anonymous": "ABC2",
"energy": -3.75095977,
"energy_per_atom": -0.9377399425,
"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -3.75095977,
"band_gap": 0.0,
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"total_magnetization": 0.9998575,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.538000Z",
"spacegroup": 71
},
{
"id": "mp-1215080",
"created_at": "2022-09-04T14:39:07.800906Z",
"structure_string": "Ag12 S1 Br1\n1.0\n19.427257 0.000000 0.000000\n0.000000 19.427257 0.000000\n0.000000 0.000000 19.427257\nAg S Br\n12 1 1\ndirect\n0.097807 0.500000 0.000000 Ag\n0.902193 0.500000 0.000000 Ag\n0.000000 0.097807 0.500000 Ag\n0.500000 0.097807 0.000000 Ag\n0.000000 0.902193 0.500000 Ag\n0.500000 0.902193 0.000000 Ag\n0.500000 0.000000 0.097807 Ag\n0.097807 0.000000 0.500000 Ag\n0.500000 0.000000 0.902193 Ag\n0.902193 0.000000 0.500000 Ag\n0.000000 0.500000 0.097807 Ag\n0.000000 0.500000 0.902193 Ag\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 Br\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ag",
"S",
"Br"
],
"chemical_system": "Ag-Br-S",
"density": 0.31850745949852477,
"density_atomic": 0.0019093853207317948,
"volume": 7332.202593154079,
"volume_molar": 315.39682926293483,
"formula_full": "Ag12 S1 Br1",
"formula_reduced": "Ag12SBr",
"formula_anonymous": "ABC12",
"energy": -18.00708367,
"energy_per_atom": -1.2862202621428571,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -16.97008367,
"band_gap": 0.3277000000000001,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.016000Z",
"spacegroup": 221
},
{
"id": "mp-1097118",
"created_at": "2022-09-04T14:41:14.554542Z",
"structure_string": "Sc2 Al1 Ga1\n1.0\n-5.451718 5.620980 7.977579\n5.451718 -5.620980 7.977579\n5.451718 5.620980 -7.977579\nSc Al Ga\n2 1 1\ndirect\n0.000000 0.252048 0.252048 Sc\n0.000000 0.747952 0.747952 Sc\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Al",
"Ga"
],
"chemical_system": "Al-Ga-Sc",
"density": 0.3169000368065123,
"density_atomic": 0.004090566556048619,
"volume": 977.8596546938711,
"volume_molar": 147.22021210228718,
"formula_full": "Sc2 Al1 Ga1",
"formula_reduced": "Sc2AlGa",
"formula_anonymous": "ABC2",
"energy": -10.65123567,
"energy_per_atom": -2.6628089175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -10.65123567,
"band_gap": 0.1660999999999997,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.066000Z",
"spacegroup": 71
},
{
"id": "mp-1096564",
"created_at": "2022-09-04T14:41:26.813087Z",
"structure_string": "Sr2 Zn1 Cd1\n1.0\n-6.718771 7.263720 9.499507\n6.718771 -7.263720 9.499507\n6.718771 7.263720 -9.499507\nSr Zn Cd\n2 1 1\ndirect\n0.752137 0.000000 0.752137 Sr\n0.247863 0.000000 0.247863 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zn",
"Cd"
],
"chemical_system": "Cd-Sr-Zn",
"density": 0.3161459496254937,
"density_atomic": 0.0021569992749181795,
"volume": 1854.42806889758,
"volume_molar": 279.19067150490514,
"formula_full": "Sr2 Zn1 Cd1",
"formula_reduced": "Sr2ZnCd",
"formula_anonymous": "ABC2",
"energy": -1.29006656,
"energy_per_atom": -0.32251664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1.29006656,
"band_gap": 0.4788000000000001,
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"is_magnetic": false,
"total_magnetization": 0.0001194,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.110000Z",
"spacegroup": 71
},
{
"id": "mp-1096613",
"created_at": "2022-09-04T14:48:09.416241Z",
"structure_string": "Sr1 La1 Mg2\n1.0\n-5.999535 7.090681 8.502101\n5.999535 -7.090681 8.502101\n5.999535 7.090681 -8.502101\nSr La Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 La\n0.741224 0.000000 0.741224 Mg\n0.258776 0.000000 0.258776 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"La",
"Mg"
],
"chemical_system": "La-Mg-Sr",
"density": 0.315794011479698,
"density_atomic": 0.0027648285245853665,
"volume": 1446.7443331227453,
"volume_molar": 217.81245044493755,
"formula_full": "Sr1 La1 Mg2",
"formula_reduced": "SrLaMg2",
"formula_anonymous": "ABC2",
"energy": -2.5548613,
"energy_per_atom": -0.638715325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -2.5548613,
"band_gap": 0.0051000000000001,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.078000Z",
"spacegroup": 71
},
{
"id": "mp-1096552",
"created_at": "2022-09-04T14:43:38.608374Z",
"structure_string": "Li2 Zn1 In1\n1.0\n-5.659438 5.666380 7.984573\n5.659438 -5.666380 7.984573\n5.659438 5.666380 -7.984573\nLi Zn In\n2 1 1\ndirect\n0.000000 0.249083 0.249083 Li\n0.000000 0.750917 0.750917 Li\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"Zn",
"In"
],
"chemical_system": "In-Li-Zn",
"density": 0.3147053167340577,
"density_atomic": 0.003905433990073246,
"volume": 1024.2139568015027,
"volume_molar": 154.19901540538024,
"formula_full": "Li2 Zn1 In1",
"formula_reduced": "Li2ZnIn",
"formula_anonymous": "ABC2",
"energy": -3.84474231,
"energy_per_atom": -0.9611855775,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -3.84474231,
"band_gap": 0.0024000000000001,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.128000Z",
"spacegroup": 71
},
{
"id": "mp-1206091",
"created_at": "2022-09-04T14:46:40.263666Z",
"structure_string": "Nd2 Zn1 Sb3\n1.0\n9.629808 0.000000 0.000000\n0.000000 9.629808 0.000000\n0.000000 0.000000 41.054780\nNd Zn Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242978 Nd\n0.500000 0.500000 0.757022 Nd\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.691187 Sb\n0.500000 0.500000 0.308813 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Zn",
"Sb"
],
"chemical_system": "Nd-Sb-Zn",
"density": 0.3136775852979132,
"density_atomic": 0.001575985671798364,
"volume": 3807.141211603386,
"volume_molar": 382.11900449120895,
"formula_full": "Nd2 Zn1 Sb3",
"formula_reduced": "Nd2ZnSb3",
"formula_anonymous": "AB2C3",
"energy": -11.85748097,
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"energy_above_hull": null,
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"band_gap": 0.088,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.456000Z",
"spacegroup": 123
},
{
"id": "mp-1206508",
"created_at": "2022-09-04T14:40:42.364501Z",
"structure_string": "Pr2 Mn1 Sb3\n1.0\n9.491250 0.000000 0.000000\n0.000000 9.491250 0.000000\n0.000000 0.000000 41.415966\nPr Mn Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243044 Pr\n0.500000 0.500000 0.756956 Pr\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.691121 Sb\n0.500000 0.500000 0.308879 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Mn",
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],
"chemical_system": "Mn-Pr-Sb",
"density": 0.31245840886800474,
"density_atomic": 0.0016081873038372738,
"volume": 3730.9086980623974,
"volume_molar": 374.46762237400156,
"formula_full": "Pr2 Mn1 Sb3",
"formula_reduced": "Pr2MnSb3",
"formula_anonymous": "AB2C3",
"energy": -17.26462318,
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"energy_above_hull": null,
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"energy_uncorrected": -16.68862318,
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"updated_at": "2021-11-28T01:35:07.279000Z",
"spacegroup": 123
},
{
"id": "mp-1096026",
"created_at": "2022-09-04T14:46:52.316055Z",
"structure_string": "Ca2 Zn1 Sn1\n1.0\n-6.201203 6.348346 8.962368\n6.201203 -6.348346 8.962368\n6.201203 6.348346 -8.962368\nCa Zn Sn\n2 1 1\ndirect\n0.000000 0.258552 0.258552 Ca\n0.000000 0.741448 0.741448 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ca-Sn-Zn",
"density": 0.3109466469599636,
"density_atomic": 0.0028342665443042976,
"volume": 1411.299868051699,
"volume_molar": 212.47616149941894,
"formula_full": "Ca2 Zn1 Sn1",
"formula_reduced": "Ca2ZnSn",
"formula_anonymous": "ABC2",
"energy": -4.51416422,
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"energy_above_hull": null,
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"energy_uncorrected": -4.51416422,
"band_gap": 0.0038999999999997,
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"updated_at": "2021-11-28T01:37:44.184000Z",
"spacegroup": 71
},
{
"id": "mp-1097468",
"created_at": "2022-09-04T14:47:58.290428Z",
"structure_string": "Ca1 Sc1 In2\n1.0\n-5.975027 7.097012 9.908508\n5.975027 -7.097012 9.908508\n5.975027 7.097012 -9.908508\nCa Sc In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sc\n0.000000 0.261918 0.261918 In\n0.000000 0.738082 0.738082 In\n",
"nsites": 4,
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"elements": [
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"Sc",
"In"
],
"chemical_system": "Ca-In-Sc",
"density": 0.3108999475524141,
"density_atomic": 0.002379996530566642,
"volume": 1680.6747189029134,
"volume_molar": 253.03149322516944,
"formula_full": "Ca1 Sc1 In2",
"formula_reduced": "CaScIn2",
"formula_anonymous": "ABC2",
"energy": -7.36867419,
"energy_per_atom": -1.8421685475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -7.36867419,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.594000Z",
"spacegroup": 71
}
]
}