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{
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"results": [
{
"id": "mp-1093956",
"created_at": "2022-09-04T14:47:06.927009Z",
"structure_string": "Tl1 In2 Hg1\n1.0\n-5.973035 6.166997 8.718019\n5.973035 -6.166997 8.718019\n5.973035 6.166997 -8.718019\nTl In Hg\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Tl\n0.000000 0.253245 0.253245 In\n0.000000 0.746755 0.746755 In\n0.000000 0.000000 0.000000 Hg\n",
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{
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"created_at": "2022-09-04T14:43:11.644658Z",
"structure_string": "Cs1 Yb3\n1.0\n-2.975678 2.975678 5.830868\n2.975678 -2.975678 5.830868\n2.975678 2.975678 -5.830868\nCs Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n",
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"elements": [
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"volume": 206.5214043098221,
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"formula_full": "Cs1 Yb3",
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"updated_at": "2021-11-28T01:36:02.847000Z",
"spacegroup": 139
},
{
"id": "mp-1097225",
"created_at": "2022-09-04T14:47:07.659335Z",
"structure_string": "Mg2 Ga1 Pb1\n1.0\n-5.625234 6.224710 8.778309\n5.625234 -6.224710 8.778309\n5.625234 6.224710 -8.778309\nMg Ga Pb\n2 1 1\ndirect\n0.000000 0.247753 0.247753 Mg\n0.000000 0.752247 0.752247 Mg\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ga-Mg-Pb",
"density": 0.43965654871067694,
"density_atomic": 0.003253339751492441,
"volume": 1229.50577115871,
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"formula_full": "Mg2 Ga1 Pb1",
"formula_reduced": "Mg2GaPb",
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"energy": -4.57327781,
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"band_gap": 0.1391,
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"total_magnetization": 2.9999707,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.531000Z",
"spacegroup": 71
},
{
"id": "mp-1094771",
"created_at": "2022-09-04T14:44:04.279989Z",
"structure_string": "Mg1 Cd3\n1.0\n-2.274842 2.274842 4.278637\n2.274842 -2.274842 4.278637\n2.274842 2.274842 -4.278637\nMg Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Cd\n0.250000 0.750000 0.500000 Cd\n0.750000 0.250000 0.500000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Cd"
],
"chemical_system": "Cd-Mg",
"density": 6.7785240144791645,
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"volume": 88.56617927119038,
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"formula_full": "Mg1 Cd3",
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"total_magnetization": 0.0003095,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.781000Z",
"spacegroup": 139
},
{
"id": "mp-1093677",
"created_at": "2022-09-04T14:45:23.935607Z",
"structure_string": "Li1 Ag2 Hg1\n1.0\n-5.375072 5.795618 8.201091\n5.375072 -5.795618 8.201091\n5.375072 5.795618 -8.201091\nLi Ag Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.244359 0.244359 Ag\n0.000000 0.755641 0.755641 Ag\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.6877779638033747,
"density_atomic": 0.003914211877485918,
"volume": 1021.9170870661154,
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"formula_full": "Li1 Ag2 Hg1",
"formula_reduced": "LiAg2Hg",
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"updated_at": "2021-11-28T01:37:04.948000Z",
"spacegroup": 71
},
{
"id": "mp-10750",
"created_at": "2022-09-04T14:45:15.420176Z",
"structure_string": "Dy1\n1.0\n0.000000 2.505869 2.505869\n2.505869 0.000000 2.505869\n2.505869 2.505869 0.000000\nDy\n1\ndirect\n0.500000 0.500000 0.500000 Dy\n",
"nsites": 1,
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"elements": [
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"density": 8.574274371555358,
"density_atomic": 0.03177568442966833,
"volume": 31.470604581732307,
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"formula_full": "Dy1",
"formula_reduced": "Dy",
"formula_anonymous": "A",
"energy": -4.58546351,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:06.404000Z",
"spacegroup": 225
},
{
"id": "mp-1094839",
"created_at": "2022-09-04T14:40:19.943286Z",
"structure_string": "Mg1 Cd3\n1.0\n4.451600 0.000000 0.000000\n0.000000 4.451600 0.000000\n0.000000 0.000000 4.451600\nMg Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 6.80541552430542,
"density_atomic": 0.045343139843468015,
"volume": 88.21621118009601,
"volume_molar": 13.281261026010597,
"formula_full": "Mg1 Cd3",
"formula_reduced": "MgCd3",
"formula_anonymous": "AB3",
"energy": -4.58710499,
"energy_per_atom": -1.1467762475,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -4.58710499,
"band_gap": 0.0,
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"total_magnetization": 0.000895,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.841000Z",
"spacegroup": 221
},
{
"id": "mp-1093734",
"created_at": "2022-09-04T14:42:14.199620Z",
"structure_string": "Sr2 Li1 Pb1\n1.0\n-6.752733 6.890438 9.769051\n6.752733 -6.890438 9.769051\n6.752733 6.890438 -9.769051\nSr Li Pb\n2 1 1\ndirect\n0.739434 0.000000 0.739434 Sr\n0.260566 0.000000 0.260566 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Li",
"Pb"
],
"chemical_system": "Li-Pb-Sr",
"density": 0.3556190994494182,
"density_atomic": 0.0021999925775206515,
"volume": 1818.1879524829676,
"volume_molar": 273.73459444971553,
"formula_full": "Sr2 Li1 Pb1",
"formula_reduced": "Sr2LiPb",
"formula_anonymous": "ABC2",
"energy": -4.58924092,
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"updated_at": "2021-11-28T01:35:36.552000Z",
"spacegroup": 71
},
{
"id": "mp-1016231",
"created_at": "2022-09-04T14:39:22.643847Z",
"structure_string": "Cs1 Mg3\n1.0\n3.752604 0.000000 0.000000\n0.000000 4.900757 0.000000\n0.000000 0.000000 8.434517\nCs Mg\n1 3\ndirect\n0.500000 0.000000 0.137593 Cs\n0.000000 0.000000 0.664189 Mg\n0.000000 0.500000 0.449180 Mg\n0.500000 0.500000 0.749038 Mg\n",
"nsites": 4,
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"elements": [
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"density": 2.203339909102662,
"density_atomic": 0.025787180927528144,
"volume": 155.11583104960297,
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"formula_full": "Cs1 Mg3",
"formula_reduced": "CsMg3",
"formula_anonymous": "AB3",
"energy": -4.59153634,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:31.993000Z",
"spacegroup": 25
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{
"id": "mp-1095904",
"created_at": "2022-09-04T14:42:44.022552Z",
"structure_string": "Ba2 Hg1 Au1\n1.0\n-6.716582 6.903016 9.508558\n6.716582 -6.903016 9.508558\n6.716582 6.903016 -9.508558\nBa Hg Au\n2 1 1\ndirect\n0.230495 0.000000 0.230495 Ba\n0.769505 0.000000 0.769505 Ba\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"density_atomic": 0.002268287705387668,
"volume": 1763.4447299163794,
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"formula_full": "Ba2 Hg1 Au1",
"formula_reduced": "Ba2HgAu",
"formula_anonymous": "ABC2",
"energy": -4.59811705,
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"spacegroup": 71
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{
"id": "mp-1009491",
"created_at": "2022-09-04T14:41:36.559085Z",
"structure_string": "Rb1 Te1\n1.0\n0.000000 4.201657 4.201657\n4.201657 0.000000 4.201657\n4.201657 4.201657 0.000000\nRb Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.250000 0.250000 Te\n",
"nsites": 2,
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"elements": [
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"density": 2.3849272459738864,
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"volume": 148.35144607945386,
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"formula_full": "Rb1 Te1",
"formula_reduced": "RbTe",
"formula_anonymous": "AB",
"energy": -5.020536219999999,
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"updated_at": "2021-11-28T01:35:27.329000Z",
"spacegroup": 216
},
{
"id": "mp-1094712",
"created_at": "2022-09-04T14:41:56.415541Z",
"structure_string": "Sr2 Mg2\n1.0\n3.009909 -5.213316 0.000000\n3.009909 5.213316 0.000000\n0.000000 0.000000 7.102601\nSr Mg\n2 2\ndirect\n0.333333 0.666667 0.250000 Sr\n0.666667 0.333333 0.750000 Sr\n0.333333 0.666667 0.750000 Mg\n0.666667 0.333333 0.250000 Mg\n",
"nsites": 4,
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"density": 1.6675980043831855,
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"volume": 222.90244356336913,
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"formula_full": "Sr2 Mg2",
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"energy": -4.6077244,
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"updated_at": "2021-11-28T01:35:33.547000Z",
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]
}