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{
"id": "mp-1096623",
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"structure_string": "Ba1 Ca1 In2\n1.0\n-6.551808 6.671395 9.956290\n6.551808 -6.671395 9.956290\n6.551808 6.671395 -9.956290\nBa Ca In\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.000000 0.243411 0.243411 In\n0.000000 0.756589 0.756589 In\n",
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{
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{
"id": "mp-1097224",
"created_at": "2022-09-04T14:47:15.872699Z",
"structure_string": "Cd2 In1 Bi1\n1.0\n-5.902989 6.078707 8.572806\n5.902989 -6.078707 8.572806\n5.902989 6.078707 -8.572806\nCd In Bi\n2 1 1\ndirect\n0.000000 0.253310 0.253310 Cd\n0.000000 0.746690 0.746690 Cd\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"density": 0.7403803405416477,
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"volume": 1230.456235868236,
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"formula_full": "Cd2 In1 Bi1",
"formula_reduced": "Cd2InBi",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:03.661000Z",
"spacegroup": 71
},
{
"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",
"nsites": 4,
"nelements": 3,
"elements": [
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],
"chemical_system": "Hg-In-Tl",
"density": 0.8203684135488111,
"density_atomic": 0.0031139625991337466,
"volume": 1284.536943736169,
"volume_molar": 193.39155716498524,
"formula_full": "Tl1 In2 Hg1",
"formula_reduced": "TlIn2Hg",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:51.584000Z",
"spacegroup": 71
},
{
"id": "mp-1184019",
"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",
"nsites": 4,
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"elements": [
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"chemical_system": "Cs-Yb",
"density": 5.242622375708762,
"density_atomic": 0.01936845245347657,
"volume": 206.5214043098221,
"volume_molar": 31.09252416766548,
"formula_full": "Cs1 Yb3",
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"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:36:02.847000Z",
"spacegroup": 139
},
{
"id": "mp-1184651",
"created_at": "2022-09-04T14:47:05.366188Z",
"structure_string": "Hg3 Sb1\n1.0\n0.000000 3.759896 3.759896\n3.759896 0.000000 3.759896\n3.759896 3.759896 0.000000\nHg Sb\n3 1\ndirect\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Hg-Sb",
"density": 11.301813798574079,
"density_atomic": 0.03762725170309115,
"volume": 106.3059303816067,
"volume_molar": 16.0047319095199,
"formula_full": "Hg3 Sb1",
"formula_reduced": "Hg3Sb",
"formula_anonymous": "AB3",
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"energy_uncorrected": -4.37913228,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.596000Z",
"spacegroup": 225
},
{
"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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"Ga",
"Pb"
],
"chemical_system": "Ga-Mg-Pb",
"density": 0.43965654871067694,
"density_atomic": 0.003253339751492441,
"volume": 1229.50577115871,
"volume_molar": 185.10642047875254,
"formula_full": "Mg2 Ga1 Pb1",
"formula_reduced": "Mg2GaPb",
"formula_anonymous": "ABC2",
"energy": -4.57327781,
"energy_per_atom": -1.1433194525,
"energy_above_hull": null,
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"band_gap": 0.1391,
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"updated_at": "2021-11-28T01:37:58.531000Z",
"spacegroup": 71
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{
"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,
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"elements": [
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"chemical_system": "Cd-Mg",
"density": 6.7785240144791645,
"density_atomic": 0.04516396702348384,
"volume": 88.56617927119038,
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"formula_full": "Mg1 Cd3",
"formula_reduced": "MgCd3",
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"updated_at": "2021-11-28T01:36:32.781000Z",
"spacegroup": 139
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{
"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,
"volume_molar": 153.85321358403306,
"formula_full": "Li1 Ag2 Hg1",
"formula_reduced": "LiAg2Hg",
"formula_anonymous": "ABC2",
"energy": -4.5750338,
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"updated_at": "2021-11-28T01:37:04.948000Z",
"spacegroup": 71
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{
"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",
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"elements": [
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"density": 8.574274371555358,
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"formula_full": "Dy1",
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"updated_at": "2021-11-28T01:37:06.404000Z",
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{
"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,
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"elements": [
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"chemical_system": "Cd-Mg",
"density": 6.80541552430542,
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"volume": 88.21621118009601,
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"formula_full": "Mg1 Cd3",
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"energy": -4.58710499,
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"updated_at": "2021-11-28T01:34:50.841000Z",
"spacegroup": 221
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{
"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,
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"elements": [
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"density": 0.3556190994494182,
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"volume": 1818.1879524829676,
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"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
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]
}