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{
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"results": [
{
"id": "mp-1097505",
"created_at": "2022-09-04T14:46:04.142032Z",
"structure_string": "In1 Sn1 Hg2\n1.0\n-5.896173 6.055785 8.623827\n5.896173 -6.055785 8.623827\n5.896173 6.055785 -8.623827\nIn Sn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Sn\n0.000000 0.255789 0.255789 Hg\n0.000000 0.744211 0.744211 Hg\n",
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{
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"elements": [
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"updated_at": "2021-11-28T01:36:39.167000Z",
"spacegroup": 71
},
{
"id": "mp-1060680",
"created_at": "2022-09-04T14:39:17.488360Z",
"structure_string": "Rb1 Ge1\n1.0\n0.000000 3.593072 3.593072\n3.593072 0.000000 3.593072\n3.593072 3.593072 0.000000\nRb Ge\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Ge\n",
"nsites": 2,
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"elements": [
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"volume": 92.7743147941254,
"volume_molar": 27.934999130138678,
"formula_full": "Rb1 Ge1",
"formula_reduced": "RbGe",
"formula_anonymous": "AB",
"energy": -3.89843739,
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"energy_uncorrected": -3.89843739,
"band_gap": 0.0,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.225000Z",
"spacegroup": 225
},
{
"id": "mp-1097112",
"created_at": "2022-09-04T14:48:12.771373Z",
"structure_string": "Ba1 Na1 Tl2\n1.0\n-6.315357 7.230269 10.286425\n6.315357 -7.230269 10.286425\n6.315357 7.230269 -10.286425\nBa Na Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.243371 0.243371 Tl\n0.000000 0.756629 0.756629 Tl\n",
"nsites": 4,
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"elements": [
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"Na",
"Tl"
],
"chemical_system": "Ba-Na-Tl",
"density": 0.502977056700438,
"density_atomic": 0.002129036832954414,
"volume": 1878.7838416347613,
"volume_molar": 282.8575187984521,
"formula_full": "Ba1 Na1 Tl2",
"formula_reduced": "BaNaTl2",
"formula_anonymous": "ABC2",
"energy": -3.8967858,
"energy_per_atom": -0.97419645,
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"energy_uncorrected": -3.8967858,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:42.763000Z",
"spacegroup": 71
},
{
"id": "mp-1097180",
"created_at": "2022-09-04T14:47:06.942959Z",
"structure_string": "La2 Cd1 Hg1\n1.0\n-5.867879 6.095231 8.961507\n5.867879 -6.095231 8.961507\n5.867879 6.095231 -8.961507\nLa Cd Hg\n2 1 1\ndirect\n0.000000 0.252275 0.252275 La\n0.000000 0.747725 0.747725 La\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cd",
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],
"chemical_system": "Cd-Hg-La",
"density": 0.7652194535487743,
"density_atomic": 0.003119949988250756,
"volume": 1282.07183290225,
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"formula_full": "La2 Cd1 Hg1",
"formula_reduced": "La2CdHg",
"formula_anonymous": "ABC2",
"energy": -3.8940059,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.113000Z",
"spacegroup": 71
},
{
"id": "mp-7761",
"created_at": "2022-09-04T14:45:25.947961Z",
"structure_string": "Sb1\n1.0\n-1.892661 1.892661 1.892661\n1.892661 -1.892661 1.892661\n1.892661 1.892661 -1.892661\nSb\n1\ndirect\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 1,
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"elements": [
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"density": 7.455473759771788,
"density_atomic": 0.036874106791514365,
"volume": 27.119300967857598,
"volume_molar": 16.33162477412427,
"formula_full": "Sb1",
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"formula_anonymous": "A",
"energy": -3.8904761,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:00.477000Z",
"spacegroup": 229
},
{
"id": "mp-1096001",
"created_at": "2022-09-04T14:42:47.317468Z",
"structure_string": "Li2 Cd1 Ga1\n1.0\n-5.395811 5.635955 7.893240\n5.395811 -5.635955 7.893240\n5.395811 5.635955 -7.893240\nLi Cd Ga\n2 1 1\ndirect\n0.239963 0.000000 0.239963 Li\n0.760037 0.000000 0.760037 Li\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cd",
"Ga"
],
"chemical_system": "Cd-Ga-Li",
"density": 0.3390010743749378,
"density_atomic": 0.004166011322305541,
"volume": 960.1510150928569,
"volume_molar": 144.55411409365172,
"formula_full": "Li2 Cd1 Ga1",
"formula_reduced": "Li2CdGa",
"formula_anonymous": "ABC2",
"energy": -3.88062278,
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -3.88062278,
"band_gap": 0.0028999999999999,
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"updated_at": "2021-11-28T01:35:50.016000Z",
"spacegroup": 71
},
{
"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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"Mg",
"Ga"
],
"chemical_system": "Ga-Li-Mg",
"density": 0.1748645132233259,
"density_atomic": 0.003903470347228855,
"volume": 1024.7291881798649,
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"formula_full": "Li2 Mg1 Ga1",
"formula_reduced": "Li2MgGa",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:47.326000Z",
"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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"Hg"
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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",
"formula_reduced": "K3Hg",
"formula_anonymous": "AB3",
"energy": -3.87768566,
"energy_per_atom": -0.969421415,
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"updated_at": "2021-11-28T01:35:23.864000Z",
"spacegroup": 225
},
{
"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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],
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"density": 0.28456681801197253,
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"volume": 869.5447002535684,
"volume_molar": 130.9130145509749,
"formula_full": "Li2 Zn1 Ga1",
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"formula_anonymous": "ABC2",
"energy": -3.87591088,
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"updated_at": "2021-11-28T01:35:32.146000Z",
"spacegroup": 71
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{
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"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,
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"formula_full": "Cd1 Ag1",
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},
{
"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,
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"volume": 369.139784307712,
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"formula_full": "Cs1 K1 Rb2",
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"updated_at": "2021-11-28T01:36:04.617000Z",
"spacegroup": 225
}
]
}