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{
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"results": [
{
"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",
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"density": 0.3390010743749378,
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"formula_full": "Li2 Cd1 Ga1",
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{
"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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"formula_full": "Sb1",
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"updated_at": "2021-11-28T01:37:00.477000Z",
"spacegroup": 229
},
{
"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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],
"chemical_system": "Cd-Hg-La",
"density": 0.7652194535487743,
"density_atomic": 0.003119949988250756,
"volume": 1282.07183290225,
"volume_molar": 193.02042605421374,
"formula_full": "La2 Cd1 Hg1",
"formula_reduced": "La2CdHg",
"formula_anonymous": "ABC2",
"energy": -3.8940059,
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -3.8940059,
"band_gap": 0.0403,
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"is_magnetic": false,
"total_magnetization": 0.0008857,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.113000Z",
"spacegroup": 71
},
{
"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,
"nelements": 3,
"elements": [
"Ba",
"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,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -3.8967858,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:42.763000Z",
"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,
"nelements": 2,
"elements": [
"Rb",
"Ge"
],
"chemical_system": "Ge-Rb",
"density": 2.829923122760742,
"density_atomic": 0.02155769088069452,
"volume": 92.7743147941254,
"volume_molar": 27.934999130138678,
"formula_full": "Rb1 Ge1",
"formula_reduced": "RbGe",
"formula_anonymous": "AB",
"energy": -3.89843739,
"energy_per_atom": -1.949218695,
"energy_above_hull": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -3.89843739,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.225000Z",
"spacegroup": 225
},
{
"id": "mp-1095780",
"created_at": "2022-09-04T14:44:52.497276Z",
"structure_string": "La2 Zn1 Hg1\n1.0\n-6.060998 6.181054 8.445720\n6.060998 -6.181054 8.445720\n6.060998 6.181054 -8.445720\nLa Zn Hg\n2 1 1\ndirect\n0.000000 0.242658 0.242658 La\n0.000000 0.757342 0.757342 La\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
"La",
"Zn",
"Hg"
],
"chemical_system": "Hg-La-Zn",
"density": 0.7134982134475822,
"density_atomic": 0.0031605061686623406,
"volume": 1265.6200578443954,
"volume_molar": 190.54355342545728,
"formula_full": "La2 Zn1 Hg1",
"formula_reduced": "La2ZnHg",
"formula_anonymous": "ABC2",
"energy": -3.89932219,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -3.89932219,
"band_gap": 0.0565999999999999,
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"total_magnetization": 0.055845,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.167000Z",
"spacegroup": 71
},
{
"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",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Sn",
"Hg"
],
"chemical_system": "Hg-In-Sn",
"density": 0.8557016652312814,
"density_atomic": 0.003247575816514048,
"volume": 1231.6879500271698,
"volume_molar": 185.43495518648655,
"formula_full": "In1 Sn1 Hg2",
"formula_reduced": "InSnHg2",
"formula_anonymous": "ABC2",
"energy": -3.89985467,
"energy_per_atom": -0.9749636675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.89985467,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.159000Z",
"spacegroup": 71
},
{
"id": "mp-1179538",
"created_at": "2022-09-04T14:44:26.929677Z",
"structure_string": "Sr2 N1\n1.0\n8.189028 12.651317 0.000000\n-8.189028 12.651317 0.000000\n0.000000 3.028082 12.697715\nSr N\n2 1\ndirect\n0.537929 0.537929 0.328284 Sr\n0.462071 0.462071 0.671716 Sr\n0.000000 0.000000 0.000000 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sr",
"N"
],
"chemical_system": "N-Sr",
"density": 0.11944108723453563,
"density_atomic": 0.0011402434601539436,
"volume": 2631.0170633164357,
"volume_molar": 528.145169908447,
"formula_full": "Sr2 N1",
"formula_reduced": "Sr2N",
"formula_anonymous": "AB2",
"energy": -3.90560641,
"energy_per_atom": -1.3018688033333332,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -3.54460641,
"band_gap": 0.1112000000000001,
"is_gap_direct": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.627000Z",
"spacegroup": 12
},
{
"id": "mp-1811",
"created_at": "2022-09-04T14:42:26.360458Z",
"structure_string": "Hg1 Te1\n1.0\n0.000000 3.077117 3.077117\n3.077117 0.000000 3.077117\n3.077117 3.077117 0.000000\nHg Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hg",
"Te"
],
"chemical_system": "Hg-Te",
"density": 9.352170524095472,
"density_atomic": 0.0343216352278186,
"volume": 58.27228180488751,
"volume_molar": 17.546194171770974,
"formula_full": "Hg1 Te1",
"formula_reduced": "HgTe",
"formula_anonymous": "AB",
"energy": -3.90656384,
"energy_per_atom": -1.95328192,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -3.48456384,
"band_gap": 0.0,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.285000Z",
"spacegroup": 225
},
{
"id": "mp-604321",
"created_at": "2022-09-04T14:48:24.360907Z",
"structure_string": "Rb4\n1.0\n2.538581 -4.396951 0.000000\n2.538581 4.396951 0.000000\n0.000000 0.000000 16.471521\nRb\n4\ndirect\n0.000000 0.000000 0.000000 Rb\n0.333333 0.666667 0.750000 Rb\n0.000000 0.000000 0.500000 Rb\n0.666667 0.333333 0.250000 Rb\n",
"nsites": 4,
"nelements": 1,
"elements": [
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"chemical_system": "Rb",
"density": 1.5438505712149497,
"density_atomic": 0.01087811486369811,
"volume": 367.7107706730139,
"volume_molar": 55.36015049902424,
"formula_full": "Rb4",
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"formula_anonymous": "A",
"energy": -3.91319338,
"energy_per_atom": -0.978298345,
"energy_above_hull": null,
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"energy_uncorrected": -3.91319338,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:57.601000Z",
"spacegroup": 194
},
{
"id": "mp-1097585",
"created_at": "2022-09-04T14:46:28.035948Z",
"structure_string": "Na1 Li2 Tl1\n1.0\n-5.951445 6.120577 8.354639\n5.951445 -6.120577 8.354639\n5.951445 6.120577 -8.354639\nNa Li Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.740156 0.000000 0.740156 Li\n0.259844 0.000000 0.259844 Li\n0.500000 0.000000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Li-Na-Tl",
"density": 0.32909635663428255,
"density_atomic": 0.0032859240468676785,
"volume": 1217.313590620884,
"volume_molar": 183.2708447944995,
"formula_full": "Na1 Li2 Tl1",
"formula_reduced": "NaLi2Tl",
"formula_anonymous": "ABC2",
"energy": -3.91452886,
"energy_per_atom": -0.978632215,
"energy_above_hull": null,
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"total_magnetization": 9.04e-05,
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"updated_at": "2021-11-28T01:37:34.514000Z",
"spacegroup": 71
},
{
"id": "mp-1093814",
"created_at": "2022-09-04T14:44:10.014289Z",
"structure_string": "Na1 Mg1 In2\n1.0\n-6.137566 6.288779 8.803244\n6.137566 -6.288779 8.803244\n6.137566 6.288779 -8.803244\nNa Mg In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Mg\n0.000000 0.259912 0.259912 In\n0.000000 0.740088 0.740088 In\n",
"nsites": 4,
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"elements": [
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"density": 0.3383413442844207,
"density_atomic": 0.002943030427727461,
"volume": 1359.1432702544994,
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"formula_full": "Na1 Mg1 In2",
"formula_reduced": "NaMgIn2",
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"energy": -3.91853416,
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"updated_at": "2021-11-28T01:36:29.478000Z",
"spacegroup": 71
}
]
}