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{
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"results": [
{
"id": "mp-1094624",
"created_at": "2022-09-04T14:46:03.802631Z",
"structure_string": "Mg2 Ga4\n1.0\n1.589627 5.380646 0.000000\n-1.589627 5.380646 0.000000\n0.000000 2.411853 6.813403\nMg Ga\n2 4\ndirect\n0.811195 0.811195 0.647477 Mg\n0.188805 0.188805 0.352523 Mg\n0.134100 0.134100 0.974046 Ga\n0.526800 0.526800 0.703868 Ga\n0.473200 0.473200 0.296132 Ga\n0.865900 0.865900 0.025954 Ga\n",
"nsites": 6,
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"density": 4.665941935912435,
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"volume": 116.55307178255447,
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"formula_full": "Mg2 Ga4",
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{
"id": "mp-1183979",
"created_at": "2022-09-04T14:39:17.414271Z",
"structure_string": "Ga1 As3\n1.0\n0.000000 3.356302 3.356302\n3.356302 0.000000 3.356302\n3.356302 3.356302 0.000000\nGa As\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 As\n0.750000 0.750000 0.750000 As\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
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"elements": [
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"density": 6.467006749734401,
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"volume": 75.61589394617083,
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"formula_full": "Ga1 As3",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.675000Z",
"spacegroup": 225
},
{
"id": "mp-1185406",
"created_at": "2022-09-04T14:46:22.438190Z",
"structure_string": "Li1 Pr3\n1.0\n5.069571 0.000000 0.000000\n0.000000 5.069571 0.000000\n0.000000 0.000000 5.069571\nLi Pr\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.500000 0.000000 0.500000 Pr\n",
"nsites": 4,
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"elements": [
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"Pr"
],
"chemical_system": "Li-Pr",
"density": 5.476011919878199,
"density_atomic": 0.030700564565717577,
"volume": 130.29076359288464,
"volume_molar": 19.615732952105866,
"formula_full": "Li1 Pr3",
"formula_reduced": "LiPr3",
"formula_anonymous": "AB3",
"energy": -15.68476171,
"energy_per_atom": -3.9211904275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.68476171,
"band_gap": 0.0,
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"total_magnetization": 0.0016542,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.066000Z",
"spacegroup": 221
},
{
"id": "mp-1097265",
"created_at": "2022-09-04T14:48:21.303131Z",
"structure_string": "Y2 Zn1 Os1\n1.0\n-5.686439 6.336626 9.193440\n5.686439 -6.336626 9.193440\n5.686439 6.336626 -9.193440\nY Zn Os\n2 1 1\ndirect\n0.000000 0.289611 0.289611 Y\n0.000000 0.710389 0.710389 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
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"elements": [
"Y",
"Zn",
"Os"
],
"chemical_system": "Os-Y-Zn",
"density": 0.5431906791198091,
"density_atomic": 0.0030187246026456343,
"volume": 1325.0629078566385,
"volume_molar": 199.4928836741897,
"formula_full": "Y2 Zn1 Os1",
"formula_reduced": "Y2ZnOs",
"formula_anonymous": "ABC2",
"energy": -15.68445529,
"energy_per_atom": -3.9211138225,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.68445529,
"band_gap": 0.1277999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.15e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:48.044000Z",
"spacegroup": 71
},
{
"id": "mp-1220338",
"created_at": "2022-09-04T14:41:07.971473Z",
"structure_string": "Nd1 Zn2 Ga2\n1.0\n4.268453 0.000000 0.000000\n0.000000 4.268453 0.000000\n2.134227 2.134227 5.345085\nNd Zn Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.386453 0.386453 0.227093 Zn\n0.613547 0.613547 0.772907 Zn\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Zn",
"Ga"
],
"chemical_system": "Ga-Nd-Zn",
"density": 7.067800711794602,
"density_atomic": 0.05134218897285474,
"volume": 97.38579713933824,
"volume_molar": 11.729419567958004,
"formula_full": "Nd1 Zn2 Ga2",
"formula_reduced": "Nd(ZnGa)2",
"formula_anonymous": "AB2C2",
"energy": -15.68375512,
"energy_per_atom": -3.136751024,
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -15.68375512,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0021169,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.470000Z",
"spacegroup": 139
},
{
"id": "mp-1246872",
"created_at": "2022-09-04T14:43:48.274862Z",
"structure_string": "Cd1 Hg2 Te4\n1.0\n4.327453 0.000000 0.000000\n0.000000 4.328274 0.000000\n0.000000 0.000000 11.770303\nCd Hg Te\n1 2 4\ndirect\n0.750000 0.250000 0.999969 Cd\n0.750000 0.750000 0.761675 Hg\n0.250000 0.250000 0.238324 Hg\n0.750000 0.750000 0.169258 Te\n0.250000 0.250000 0.830751 Te\n0.750000 0.250000 0.500006 Te\n0.250000 0.750000 0.500016 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cd",
"Hg",
"Te"
],
"chemical_system": "Cd-Hg-Te",
"density": 7.712771916811789,
"density_atomic": 0.03175143014363094,
"volume": 220.46251045495472,
"volume_molar": 18.96651814661013,
"formula_full": "Cd1 Hg2 Te4",
"formula_reduced": "Cd(HgTe2)2",
"formula_anonymous": "AB2C4",
"energy": -15.682561420000004,
"energy_per_atom": -2.240365917142858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.99456142,
"band_gap": 0.3177999999999996,
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"is_magnetic": false,
"total_magnetization": 0.0313135,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.097000Z",
"spacegroup": 115
},
{
"id": "mp-1068803",
"created_at": "2022-09-04T14:46:27.286436Z",
"structure_string": "Yb1 Ga4\n1.0\n3.053235 3.080948 0.000000\n-3.053235 3.080948 0.000000\n0.000000 2.953850 5.355930\nYb Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.405114 0.405114 0.230723 Ga\n0.594886 0.594886 0.769277 Ga\n0.767805 0.232195 0.500000 Ga\n0.232195 0.767805 0.500000 Ga\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Yb",
"Ga"
],
"chemical_system": "Ga-Yb",
"density": 7.447537565705685,
"density_atomic": 0.04962042912602629,
"volume": 100.76494879359,
"volume_molar": 12.136414106183825,
"formula_full": "Yb1 Ga4",
"formula_reduced": "YbGa4",
"formula_anonymous": "AB4",
"energy": -15.68146043,
"energy_per_atom": -3.136292086,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.68146043,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0004666,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.657000Z",
"spacegroup": 12
},
{
"id": "mp-1096632",
"created_at": "2022-09-04T14:43:55.657671Z",
"structure_string": "Y1 Zn1 Pt2\n1.0\n-4.878607 5.937288 8.394762\n4.878607 -5.937288 8.394762\n4.878607 5.937288 -8.394762\nY Zn Pt\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.252699 0.252699 Pt\n0.000000 0.747301 0.747301 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Zn",
"Pt"
],
"chemical_system": "Pt-Y-Zn",
"density": 0.9295675888967194,
"density_atomic": 0.004112516578404188,
"volume": 972.6404559692137,
"volume_molar": 146.43444336792967,
"formula_full": "Y1 Zn1 Pt2",
"formula_reduced": "YZnPt2",
"formula_anonymous": "ABC2",
"energy": -15.68031498,
"energy_per_atom": -3.920078745,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -15.68031498,
"band_gap": 0.0109000000000001,
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"total_magnetization": 0.0002316,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.657000Z",
"spacegroup": 71
},
{
"id": "mp-1187926",
"created_at": "2022-09-04T14:47:18.280532Z",
"structure_string": "Zn1 Ag1 Pd2\n1.0\n0.000000 3.152950 3.152950\n3.152950 0.000000 3.152950\n3.152950 3.152950 0.000000\nZn Ag Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ag\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
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"elements": [
"Zn",
"Ag",
"Pd"
],
"chemical_system": "Ag-Pd-Zn",
"density": 10.227912380466384,
"density_atomic": 0.06380853073357083,
"volume": 62.68754277859476,
"volume_molar": 9.437830162780479,
"formula_full": "Zn1 Ag1 Pd2",
"formula_reduced": "ZnAgPd2",
"formula_anonymous": "ABC2",
"energy": -15.68013214,
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"energy_above_hull": null,
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"energy_uncorrected": -15.68013214,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:02.481000Z",
"spacegroup": 225
},
{
"id": "mp-23485",
"created_at": "2022-09-04T14:40:36.729071Z",
"structure_string": "Ag2 Hg1 I4\n1.0\n-3.268047 3.268047 6.581435\n3.268047 -3.268047 6.581435\n3.268047 3.268047 -6.581435\nAg Hg I\n2 1 4\ndirect\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Hg\n0.629623 0.129983 0.019582 I\n0.870017 0.889599 0.499640 I\n0.110401 0.610041 0.980418 I\n0.389959 0.370377 0.500360 I\n",
"nsites": 7,
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"elements": [
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"Hg",
"I"
],
"chemical_system": "Ag-Hg-I",
"density": 5.4567958127675285,
"density_atomic": 0.024896647172375642,
"volume": 281.16235698463566,
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"formula_full": "Ag2 Hg1 I4",
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"formula_anonymous": "AB2C4",
"energy": -15.67813568,
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"updated_at": "2021-11-28T01:35:06.303000Z",
"spacegroup": 82
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{
"id": "mp-4483",
"created_at": "2022-09-04T14:39:16.924892Z",
"structure_string": "Ag1 As1 Se2\n1.0\n6.673690 -1.962687 0.000000\n6.673690 1.962687 0.000000\n6.096477 0.000000 3.350111\nAg As Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 As\n0.745336 0.745336 0.745336 Se\n0.254664 0.254664 0.254664 Se\n",
"nsites": 4,
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"elements": [
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"As",
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"chemical_system": "Ag-As-Se",
"density": 6.446551481834724,
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"volume": 87.76195069064332,
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"formula_full": "Ag1 As1 Se2",
"formula_reduced": "AgAsSe2",
"formula_anonymous": "ABC2",
"energy": -15.67678251,
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"updated_at": "2021-11-28T01:34:43.627000Z",
"spacegroup": 166
},
{
"id": "mp-1229122",
"created_at": "2022-09-04T14:41:22.165888Z",
"structure_string": "Ag2 Hg1 I4\n1.0\n-3.312139 3.312139 6.577737\n3.312139 -3.312139 6.577737\n3.312139 3.312139 -6.577737\nAg Hg I\n2 1 4\ndirect\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 0.000000 Hg\n0.373604 0.876049 0.000000 I\n0.123951 0.123951 0.497555 I\n0.876049 0.373604 0.000000 I\n0.626396 0.626396 0.502445 I\n",
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"elements": [
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],
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"density": 5.315465129379419,
"density_atomic": 0.024251825507853816,
"volume": 288.6380655234836,
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"formula_full": "Ag2 Hg1 I4",
"formula_reduced": "Ag2HgI4",
"formula_anonymous": "AB2C4",
"energy": -15.67638289,
"energy_per_atom": -2.23948327,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:15.886000Z",
"spacegroup": 121
}
]
}