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{
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"results": [
{
"id": "mp-1227938",
"created_at": "2022-09-04T14:39:25.300188Z",
"structure_string": "Ba1 Ca1\n1.0\n3.001579 -3.155770 0.000000\n3.001579 3.155770 0.000000\n0.000000 0.000000 5.586277\nBa Ca\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ca\n",
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"elements": [
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{
"id": "mp-1186891",
"created_at": "2022-09-04T14:40:55.534351Z",
"structure_string": "Rb3 Yb1\n1.0\n-3.742298 3.742298 5.462788\n3.742298 -3.742298 5.462788\n3.742298 3.742298 -5.462788\nRb Yb\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Rb-Yb",
"density": 2.3302577282082293,
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"volume": 306.020889432625,
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"formula_full": "Rb3 Yb1",
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"updated_at": "2021-11-28T01:34:59.298000Z",
"spacegroup": 139
},
{
"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,
"nelements": 3,
"elements": [
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"Zn",
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],
"chemical_system": "In-Li-Zn",
"density": 0.3147053167340577,
"density_atomic": 0.003905433990073246,
"volume": 1024.2139568015027,
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"formula_full": "Li2 Zn1 In1",
"formula_reduced": "Li2ZnIn",
"formula_anonymous": "ABC2",
"energy": -3.84474231,
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"energy_uncorrected": -3.84474231,
"band_gap": 0.0024000000000001,
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"total_magnetization": 1.0012004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.128000Z",
"spacegroup": 71
},
{
"id": "mp-1096124",
"created_at": "2022-09-04T14:40:07.529368Z",
"structure_string": "Li2 Cd1 In1\n1.0\n-5.660132 5.763134 8.005316\n5.660132 -5.763134 8.005316\n5.660132 5.763134 -8.005316\nLi Cd In\n2 1 1\ndirect\n0.748549 0.000000 0.748549 Li\n0.251451 0.000000 0.251451 Li\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cd",
"In"
],
"chemical_system": "Cd-In-Li",
"density": 0.3833031369224365,
"density_atomic": 0.0038294485860772293,
"volume": 1044.5368073468453,
"volume_molar": 157.2586920710926,
"formula_full": "Li2 Cd1 In1",
"formula_reduced": "Li2CdIn",
"formula_anonymous": "ABC2",
"energy": -3.84571928,
"energy_per_atom": -0.96142982,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -3.84571928,
"band_gap": 0.0022999999999999,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.160000Z",
"spacegroup": 71
},
{
"id": "mp-1093935",
"created_at": "2022-09-04T14:41:19.900384Z",
"structure_string": "Sr2 Tl1 Ga1\n1.0\n-6.441521 7.022453 9.867292\n6.441521 -7.022453 9.867292\n6.441521 7.022453 -9.867292\nSr Tl Ga\n2 1 1\ndirect\n0.000000 0.238828 0.238828 Sr\n0.000000 0.761172 0.761172 Sr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Tl",
"Ga"
],
"chemical_system": "Ga-Sr-Tl",
"density": 0.41792180171955423,
"density_atomic": 0.002240395808308836,
"volume": 1785.398805499195,
"volume_molar": 268.7980729863004,
"formula_full": "Sr2 Tl1 Ga1",
"formula_reduced": "Sr2TlGa",
"formula_anonymous": "ABC2",
"energy": -3.85411723,
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"energy_above_hull": null,
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"energy_uncorrected": -3.85411723,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.415000Z",
"spacegroup": 71
},
{
"id": "mp-983365",
"created_at": "2022-09-04T14:44:56.779844Z",
"structure_string": "K3 Hg1\n1.0\n-2.942159 2.942159 5.946657\n2.942159 -2.942159 5.946657\n2.942159 2.942159 -5.946657\nK Hg\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Hg"
],
"chemical_system": "Hg-K",
"density": 2.5636210992340356,
"density_atomic": 0.019426512074311803,
"volume": 205.90417799648694,
"volume_molar": 30.99959857417348,
"formula_full": "K3 Hg1",
"formula_reduced": "K3Hg",
"formula_anonymous": "AB3",
"energy": -3.86031069,
"energy_per_atom": -0.9650776725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.86031069,
"band_gap": 0.0,
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"total_magnetization": 0.0390885,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.473000Z",
"spacegroup": 139
},
{
"id": "mp-974981",
"created_at": "2022-09-04T14:41:12.912628Z",
"structure_string": "Rb3 Mg1\n1.0\n-2.517592 3.711235 7.282531\n2.517592 -3.711235 7.282531\n2.517592 3.711235 -7.282531\nRb Mg\n3 1\ndirect\n0.759484 0.708633 0.050851 Rb\n0.090383 0.500000 0.590383 Rb\n0.342219 0.291367 0.050851 Rb\n0.641244 0.000000 0.641244 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Mg"
],
"chemical_system": "Mg-Rb",
"density": 1.7126095749447197,
"density_atomic": 0.014696497761812649,
"volume": 272.1736882370433,
"volume_molar": 40.97670654329577,
"formula_full": "Rb3 Mg1",
"formula_reduced": "Rb3Mg",
"formula_anonymous": "AB3",
"energy": -3.8616348,
"energy_per_atom": -0.9654087,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -3.8616348,
"band_gap": 0.0,
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"total_magnetization": 0.0044425,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.112000Z",
"spacegroup": 44
},
{
"id": "mp-1183953",
"created_at": "2022-09-04T14:43:08.458037Z",
"structure_string": "Cs1 K1 Rb2\n1.0\n0.000000 5.693600 5.693600\n5.693600 0.000000 5.693600\n5.693600 5.693600 0.000000\nCs K Rb\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"K",
"Rb"
],
"chemical_system": "Cs-K-Rb",
"density": 1.5426789945505686,
"density_atomic": 0.010836003514228724,
"volume": 369.139784307712,
"volume_molar": 55.57529353042701,
"formula_full": "Cs1 K1 Rb2",
"formula_reduced": "CsKRb2",
"formula_anonymous": "ABC2",
"energy": -3.8672623,
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"energy_above_hull": null,
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"energy_uncorrected": -3.8672623,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.617000Z",
"spacegroup": 225
},
{
"id": "mp-2642",
"created_at": "2022-09-04T14:40:09.333446Z",
"structure_string": "Cd1 Ag1\n1.0\n3.394801 0.000000 0.000000\n0.000000 3.394801 0.000000\n0.000000 0.000000 3.394801\nCd Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd",
"density": 9.34931136858541,
"density_atomic": 0.05111955108802524,
"volume": 39.12397424140331,
"volume_molar": 11.780503998617247,
"formula_full": "Cd1 Ag1",
"formula_reduced": "CdAg",
"formula_anonymous": "AB",
"energy": -3.86928242,
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"energy_above_hull": null,
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"energy_uncorrected": -3.86928242,
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"total_magnetization": 3.89e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.781000Z",
"spacegroup": 221
},
{
"id": "mp-1096442",
"created_at": "2022-09-04T14:42:07.521892Z",
"structure_string": "Li2 Zn1 Ga1\n1.0\n-5.316634 5.462811 7.484779\n5.316634 -5.462811 7.484779\n5.316634 5.462811 -7.484779\nLi Zn Ga\n2 1 1\ndirect\n0.749294 0.000000 0.749294 Li\n0.250706 0.000000 0.250706 Li\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"Zn",
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],
"chemical_system": "Ga-Li-Zn",
"density": 0.28456681801197253,
"density_atomic": 0.004600108538219551,
"volume": 869.5447002535684,
"volume_molar": 130.9130145509749,
"formula_full": "Li2 Zn1 Ga1",
"formula_reduced": "Li2ZnGa",
"formula_anonymous": "ABC2",
"energy": -3.87591088,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:32.146000Z",
"spacegroup": 71
},
{
"id": "mp-983388",
"created_at": "2022-09-04T14:40:54.270910Z",
"structure_string": "K3 Hg1\n1.0\n0.000000 4.673705 4.673705\n4.673705 0.000000 4.673705\n4.673705 4.673705 0.000000\nK Hg\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-K",
"density": 2.585265261913387,
"density_atomic": 0.0195905264006701,
"volume": 204.18032257995776,
"volume_molar": 30.7400660749678,
"formula_full": "K3 Hg1",
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"energy": -3.87768566,
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"updated_at": "2021-11-28T01:35:23.864000Z",
"spacegroup": 225
},
{
"id": "mp-1096408",
"created_at": "2022-09-04T14:40:04.972645Z",
"structure_string": "Li2 Mg1 Ga1\n1.0\n-5.654088 5.769143 7.853717\n5.654088 -5.769143 7.853717\n5.654088 5.769143 -7.853717\nLi Mg Ga\n2 1 1\ndirect\n0.262825 0.000000 0.262825 Li\n0.737175 0.000000 0.737175 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ga-Li-Mg",
"density": 0.1748645132233259,
"density_atomic": 0.003903470347228855,
"volume": 1024.7291881798649,
"volume_molar": 154.27658530249187,
"formula_full": "Li2 Mg1 Ga1",
"formula_reduced": "Li2MgGa",
"formula_anonymous": "ABC2",
"energy": -3.87996639,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.326000Z",
"spacegroup": 71
}
]
}