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{
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"results": [
{
"id": "mp-1097185",
"created_at": "2022-09-04T14:40:31.969796Z",
"structure_string": "Li1 Zn2 Co1\n1.0\n-5.068549 5.093245 7.310917\n5.068549 -5.093245 7.310917\n5.068549 5.093245 -7.310917\nLi Zn Co\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.259642 0.259642 Zn\n0.000000 0.740358 0.740358 Zn\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Co-Li-Zn",
"density": 0.43263949471197255,
"density_atomic": 0.005298463289590418,
"volume": 754.9358712852775,
"volume_molar": 113.65825204132958,
"formula_full": "Li1 Zn2 Co1",
"formula_reduced": "LiZn2Co",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:53.410000Z",
"spacegroup": 71
},
{
"id": "mp-1184702",
"created_at": "2022-09-04T14:39:59.382091Z",
"structure_string": "Hg6 Pd2\n1.0\n2.970288 -5.144690 0.000000\n2.970288 5.144690 0.000000\n0.000000 0.000000 5.488062\nHg Pd\n6 2\ndirect\n0.831351 0.168649 0.750000 Hg\n0.337298 0.168649 0.750000 Hg\n0.831351 0.662702 0.750000 Hg\n0.168649 0.831351 0.250000 Hg\n0.662702 0.831351 0.250000 Hg\n0.168649 0.337298 0.250000 Hg\n0.666667 0.333333 0.250000 Pd\n0.333333 0.666667 0.750000 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hg",
"Pd"
],
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"density": 14.022392098626174,
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"volume": 167.7284664847831,
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"formula_full": "Hg6 Pd2",
"formula_reduced": "Hg3Pd",
"formula_anonymous": "AB3",
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"energy_uncorrected": -11.83625713,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.996000Z",
"spacegroup": 194
},
{
"id": "mp-2012",
"created_at": "2022-09-04T14:42:43.560617Z",
"structure_string": "Li1 Hg1\n1.0\n3.344811 0.000000 0.000000\n0.000000 3.344811 0.000000\n0.000000 0.000000 3.344811\nLi Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"Hg"
],
"chemical_system": "Hg-Li",
"density": 9.209102945277461,
"density_atomic": 0.05344600491392296,
"volume": 37.420944806278484,
"volume_molar": 11.26770984978,
"formula_full": "Li1 Hg1",
"formula_reduced": "LiHg",
"formula_anonymous": "AB",
"energy": -2.96021147,
"energy_per_atom": -1.480105735,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.96021147,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0001743,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.928000Z",
"spacegroup": 221
},
{
"id": "mp-1094505",
"created_at": "2022-09-04T14:45:56.463798Z",
"structure_string": "Mg2 Zn2\n1.0\n1.537518 5.186061 0.000000\n-1.537518 5.186061 0.000000\n0.000000 1.804953 4.630653\nMg Zn\n2 2\ndirect\n0.889084 0.889084 0.812151 Mg\n0.110916 0.110916 0.187849 Mg\n0.642933 0.642933 0.672156 Zn\n0.357067 0.357067 0.327844 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 4.034681438181983,
"density_atomic": 0.05416639443317165,
"volume": 73.84652498764785,
"volume_molar": 11.117854202811817,
"formula_full": "Mg2 Zn2",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy": -5.92054082,
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -5.92054082,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0002862,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.920000Z",
"spacegroup": 12
},
{
"id": "mp-1039293",
"created_at": "2022-09-04T14:44:57.359612Z",
"structure_string": "Mg3 Cd1\n1.0\n-2.288927 2.288927 4.224501\n2.288927 -2.288927 4.224501\n2.288927 2.288927 -4.224501\nMg Cd\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.250000 0.750000 0.500000 Mg\n0.750000 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 3.476051137764631,
"density_atomic": 0.045181505558444794,
"volume": 88.5317996945847,
"volume_molar": 13.328773987422853,
"formula_full": "Mg3 Cd1",
"formula_reduced": "Mg3Cd",
"formula_anonymous": "AB3",
"energy": -5.92288435,
"energy_per_atom": -1.4807210875,
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"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0001622,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.555000Z",
"spacegroup": 139
},
{
"id": "mp-1039434",
"created_at": "2022-09-04T14:43:15.251990Z",
"structure_string": "Mg5 Cd1\n1.0\n1.574499 -2.727113 0.000000\n1.574499 2.727113 0.000000\n0.000000 0.000000 15.912806\nMg Cd\n5 1\ndirect\n0.666667 0.333333 0.834952 Mg\n0.000000 0.000000 0.667321 Mg\n0.666667 0.333333 0.500000 Mg\n0.000000 0.000000 0.332679 Mg\n0.666667 0.333333 0.165048 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 2.8426531417044694,
"density_atomic": 0.04390651466328342,
"volume": 136.65398053144642,
"volume_molar": 13.715825102911166,
"formula_full": "Mg5 Cd1",
"formula_reduced": "Mg5Cd",
"formula_anonymous": "AB5",
"energy": -8.88451638,
"energy_per_atom": -1.48075273,
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"formation_energy": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0001275,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.588000Z",
"spacegroup": 187
},
{
"id": "mp-672225",
"created_at": "2022-09-04T14:47:10.005202Z",
"structure_string": "Ba2 Zn26\n1.0\n0.000000 6.201665 6.201665\n6.201665 0.000000 6.201665\n6.201665 6.201665 0.000000\nBa Zn\n2 26\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.440462 0.799225 0.559538 Zn\n0.059538 0.940462 0.700775 Zn\n0.559538 0.440462 0.799225 Zn\n0.799225 0.559538 0.440462 Zn\n0.200775 0.799225 0.440462 Zn\n0.700775 0.059538 0.940462 Zn\n0.440462 0.559538 0.200775 Zn\n0.700775 0.940462 0.299225 Zn\n0.440462 0.200775 0.799225 Zn\n0.940462 0.700775 0.059538 Zn\n0.059538 0.299225 0.940462 Zn\n0.940462 0.299225 0.700775 Zn\n0.700775 0.299225 0.059538 Zn\n0.200775 0.440462 0.559538 Zn\n0.799225 0.440462 0.200775 Zn\n0.299225 0.700775 0.940462 Zn\n0.059538 0.700775 0.299225 Zn\n0.559538 0.799225 0.200775 Zn\n0.299225 0.940462 0.059538 Zn\n0.200775 0.559538 0.799225 Zn\n0.299225 0.059538 0.700775 Zn\n0.799225 0.200775 0.559538 Zn\n0.940462 0.059538 0.299225 Zn\n0.559538 0.200775 0.440462 Zn\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Ba",
"Zn"
],
"chemical_system": "Ba-Zn",
"density": 6.875821892039624,
"density_atomic": 0.058695272997564094,
"volume": 477.04011873600155,
"volume_molar": 10.260009797126125,
"formula_full": "Ba2 Zn26",
"formula_reduced": "BaZn13",
"formula_anonymous": "AB13",
"energy": -41.47651765,
"energy_per_atom": -1.4813042017857143,
"energy_above_hull": null,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:53.581000Z",
"spacegroup": 226
},
{
"id": "mp-1016237",
"created_at": "2022-09-04T14:42:46.738718Z",
"structure_string": "Mg3 Cd1\n1.0\n3.227146 0.000000 0.000000\n0.000000 5.093342 0.000000\n0.000000 0.000000 5.398160\nMg Cd\n3 1\ndirect\n0.000000 0.000000 0.667716 Mg\n0.000000 0.500000 0.332816 Mg\n0.500000 0.500000 0.833587 Mg\n0.500000 0.000000 0.165882 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 3.4683126868733476,
"density_atomic": 0.04508092163487711,
"volume": 88.72933061123084,
"volume_molar": 13.358512962035224,
"formula_full": "Mg3 Cd1",
"formula_reduced": "Mg3Cd",
"formula_anonymous": "AB3",
"energy": -5.92549524,
"energy_per_atom": -1.48137381,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -5.92549524,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.355000Z",
"spacegroup": 25
},
{
"id": "mp-1096385",
"created_at": "2022-09-04T14:45:03.364920Z",
"structure_string": "Na2 Hg1 Te1\n1.0\n-5.993927 6.307993 8.475472\n5.993927 -6.307993 8.475472\n5.993927 6.307993 -8.475472\nNa Hg Te\n2 1 1\ndirect\n0.217386 0.000000 0.217386 Na\n0.782614 0.000000 0.782614 Na\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Hg",
"Te"
],
"chemical_system": "Hg-Na-Te",
"density": 0.4847200551838743,
"density_atomic": 0.0031205665899528444,
"volume": 1281.8185046518893,
"volume_molar": 192.9822865946598,
"formula_full": "Na2 Hg1 Te1",
"formula_reduced": "Na2HgTe",
"formula_anonymous": "ABC2",
"energy": -5.92613593,
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"energy_above_hull": null,
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"energy_uncorrected": -5.50413593,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.931000Z",
"spacegroup": 71
},
{
"id": "mp-1093987",
"created_at": "2022-09-04T14:39:48.744305Z",
"structure_string": "La2 Mg1 In1\n1.0\n-6.272669 6.413873 8.674547\n6.272669 -6.413873 8.674547\n6.272669 6.413873 -8.674547\nLa Mg In\n2 1 1\ndirect\n0.000000 0.262881 0.262881 La\n0.000000 0.737119 0.737119 La\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"Mg",
"In"
],
"chemical_system": "In-La-Mg",
"density": 0.4959487776003232,
"density_atomic": 0.002865368407754199,
"volume": 1395.9810505257492,
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"formula_full": "La2 Mg1 In1",
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"updated_at": "2021-11-28T01:34:42.376000Z",
"spacegroup": 71
},
{
"id": "mp-1026564",
"created_at": "2022-09-04T14:45:55.133443Z",
"structure_string": "Cs1 Mg14 Ga1\n1.0\n6.525650 0.000000 -0.000000\n-3.262825 5.651378 0.000000\n0.000000 0.000000 10.812219\nCs Mg Ga\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Cs\n0.172264 0.836131 0.125000 Mg\n0.160936 0.830467 0.625000 Mg\n0.663869 0.327736 0.125000 Mg\n0.669533 0.339064 0.625000 Mg\n0.663869 0.836131 0.125000 Mg\n0.669533 0.830467 0.625000 Mg\n0.337539 0.162461 0.395333 Mg\n0.337539 0.162461 0.854667 Mg\n0.337539 0.675079 0.395333 Mg\n0.337539 0.675079 0.854667 Mg\n0.824921 0.162461 0.395333 Mg\n0.824921 0.162461 0.854667 Mg\n0.833333 0.666667 0.369783 Mg\n0.833333 0.666667 0.880217 Mg\n0.166667 0.333333 0.625000 Ga\n",
"nsites": 16,
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"elements": [
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"Mg",
"Ga"
],
"chemical_system": "Cs-Ga-Mg",
"density": 2.2608655351574964,
"density_atomic": 0.040126105938837184,
"volume": 398.74290379405966,
"volume_molar": 15.008036835618535,
"formula_full": "Cs1 Mg14 Ga1",
"formula_reduced": "CsMg14Ga",
"formula_anonymous": "ABC14",
"energy": -23.71934171,
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"band_gap": 0.0,
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"total_magnetization": 7.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.792000Z",
"spacegroup": 187
},
{
"id": "mp-758433",
"created_at": "2022-09-04T14:46:03.033390Z",
"structure_string": "Ag1 Hg1\n1.0\n3.453205 0.000000 0.000000\n0.000000 3.453205 0.000000\n0.000000 0.000000 3.453205\nAg Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
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"elements": [
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],
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"density": 12.438795681727514,
"density_atomic": 0.048569419458539216,
"volume": 41.17817388588059,
"volume_molar": 12.399037969026454,
"formula_full": "Ag1 Hg1",
"formula_reduced": "AgHg",
"formula_anonymous": "AB",
"energy": -2.96551846,
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"energy_above_hull": null,
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"total_magnetization": 9e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.330000Z",
"spacegroup": 221
}
]
}