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{
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"results": [
{
"id": "mp-1095951",
"created_at": "2022-09-04T14:44:25.202673Z",
"structure_string": "Ba1 In1 Hg2\n1.0\n-6.260210 6.853610 9.740363\n6.260210 -6.853610 9.740363\n6.260210 6.853610 -9.740363\nBa In Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 In\n0.000000 0.230336 0.230336 Hg\n0.000000 0.769664 0.769664 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ba-Hg-In",
"density": 0.6489854369384127,
"density_atomic": 0.0023928560234393868,
"volume": 1671.642573066546,
"volume_molar": 251.6716718853831,
"formula_full": "Ba1 In1 Hg2",
"formula_reduced": "BaInHg2",
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"spacegroup": 71
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{
"id": "mp-1096317",
"created_at": "2022-09-04T14:44:19.771428Z",
"structure_string": "Mg2 Ga1 Hg1\n1.0\n-5.400412 5.714635 7.875972\n5.400412 -5.714635 7.875972\n5.400412 5.714635 -7.875972\nMg Ga Hg\n2 1 1\ndirect\n0.000000 0.241674 0.241674 Mg\n0.000000 0.758326 0.758326 Mg\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ga-Hg-Mg",
"density": 0.5446975137580196,
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"volume": 972.2535670918044,
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"formula_full": "Mg2 Ga1 Hg1",
"formula_reduced": "Mg2GaHg",
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"updated_at": "2021-11-28T01:36:30.899000Z",
"spacegroup": 71
},
{
"id": "mp-1096761",
"created_at": "2022-09-04T14:47:01.360339Z",
"structure_string": "K1 Rb2 Na1\n1.0\n-7.847777 8.597362 11.123070\n7.847777 -8.597362 11.123070\n7.847777 8.597362 -11.123070\nK Rb Na\n1 2 1\ndirect\n0.500000 0.000000 0.500000 K\n0.228982 0.000000 0.228982 Rb\n0.771018 0.000000 0.771018 Rb\n0.000000 0.000000 0.000000 Na\n",
"nsites": 4,
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"elements": [
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"Rb",
"Na"
],
"chemical_system": "K-Na-Rb",
"density": 0.1288999073123344,
"density_atomic": 0.001332488478020395,
"volume": 3001.902129722413,
"volume_molar": 451.9469293233038,
"formula_full": "K1 Rb2 Na1",
"formula_reduced": "KRb2Na",
"formula_anonymous": "ABC2",
"energy": -2.3038454,
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"band_gap": 0.0781,
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"total_magnetization": 0.0022486,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.010000Z",
"spacegroup": 71
},
{
"id": "mp-1095990",
"created_at": "2022-09-04T14:39:27.547239Z",
"structure_string": "Ba2 Na1 Li1\n1.0\n-7.487970 7.796809 10.629054\n7.487970 -7.796809 10.629054\n7.487970 7.796809 -10.629054\nBa Na Li\n2 1 1\ndirect\n0.756389 0.000000 0.756389 Ba\n0.243611 0.000000 0.243611 Ba\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Li"
],
"chemical_system": "Ba-Li-Na",
"density": 0.20376129132168608,
"density_atomic": 0.0016114780540120541,
"volume": 2482.1932821494565,
"volume_molar": 373.70293346576057,
"formula_full": "Ba2 Na1 Li1",
"formula_reduced": "Ba2NaLi",
"formula_anonymous": "ABC2",
"energy": -2.31583272,
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"energy_above_hull": null,
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"energy_uncorrected": -2.31583272,
"band_gap": 0.1102,
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"is_magnetic": false,
"total_magnetization": 0.0035238,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.090000Z",
"spacegroup": 71
},
{
"id": "mp-1408",
"created_at": "2022-09-04T14:47:55.747892Z",
"structure_string": "Mg1 Hg1\n1.0\n3.499559 0.000000 0.000000\n0.000000 3.499559 0.000000\n0.000000 0.000000 3.499559\nMg Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Hg-Mg",
"density": 8.713425817011279,
"density_atomic": 0.04666486741812279,
"volume": 42.85879529196474,
"volume_molar": 12.905084902611849,
"formula_full": "Mg1 Hg1",
"formula_reduced": "MgHg",
"formula_anonymous": "AB",
"energy": -2.33452761,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.000368,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:18.130000Z",
"spacegroup": 221
},
{
"id": "mp-151",
"created_at": "2022-09-04T14:41:22.605703Z",
"structure_string": "Tl1\n1.0\n0.000000 2.496600 2.496600\n2.496600 0.000000 2.496600\n2.496600 2.496600 0.000000\nTl\n1\ndirect\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 1,
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"elements": [
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],
"chemical_system": "Tl",
"density": 10.904797627951591,
"density_atomic": 0.03213091592979114,
"volume": 31.122673321391996,
"volume_molar": 18.742511956891935,
"formula_full": "Tl1",
"formula_reduced": "Tl",
"formula_anonymous": "A",
"energy": -2.35195119,
"energy_per_atom": -2.35195119,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.35195119,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0003465,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.439000Z",
"spacegroup": 225
},
{
"id": "mp-1096694",
"created_at": "2022-09-04T14:46:54.279690Z",
"structure_string": "Sr2 Tl1 Hg1\n1.0\n-6.738291 6.865182 9.662687\n6.738291 -6.865182 9.662687\n6.738291 6.865182 -9.662687\nSr Tl Hg\n2 1 1\ndirect\n0.000000 0.260697 0.260697 Sr\n0.000000 0.739303 0.739303 Sr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Tl",
"Hg"
],
"chemical_system": "Hg-Sr-Tl",
"density": 0.538861376831591,
"density_atomic": 0.0022371766124828097,
"volume": 1787.967913521506,
"volume_molar": 269.18486123975043,
"formula_full": "Sr2 Tl1 Hg1",
"formula_reduced": "Sr2TlHg",
"formula_anonymous": "ABC2",
"energy": -2.36074623,
"energy_per_atom": -0.5901865575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -2.36074623,
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"total_magnetization": 1.2844207,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.577000Z",
"spacegroup": 71
},
{
"id": "mp-39",
"created_at": "2022-09-04T14:39:18.201038Z",
"structure_string": "Tl1\n1.0\n-1.981770 1.981770 1.981770\n1.981770 -1.981770 1.981770\n1.981770 1.981770 -1.981770\nTl\n1\ndirect\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tl"
],
"chemical_system": "Tl",
"density": 10.90121145338983,
"density_atomic": 0.03212034928955766,
"volume": 31.132911755884933,
"volume_molar": 18.748677686259782,
"formula_full": "Tl1",
"formula_reduced": "Tl",
"formula_anonymous": "A",
"energy": -2.36165298,
"energy_per_atom": -2.36165298,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -2.36165298,
"band_gap": 0.0,
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"total_magnetization": 7.26e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.186000Z",
"spacegroup": 229
},
{
"id": "mp-1095721",
"created_at": "2022-09-04T14:39:25.205319Z",
"structure_string": "K2 Na1 Cd1\n1.0\n-7.086283 7.486669 10.019123\n7.086283 -7.486669 10.019123\n7.086283 7.486669 -10.019123\nK Na Cd\n2 1 1\ndirect\n0.750570 0.000000 0.750570 K\n0.249430 0.000000 0.249430 K\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Na",
"Cd"
],
"chemical_system": "Cd-K-Na",
"density": 0.16682002131743395,
"density_atomic": 0.0018813221411730693,
"volume": 2126.1643141593295,
"volume_molar": 320.1015194689086,
"formula_full": "K2 Na1 Cd1",
"formula_reduced": "K2NaCd",
"formula_anonymous": "ABC2",
"energy": -2.36626961,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.647000Z",
"spacegroup": 71
},
{
"id": "mp-1008283",
"created_at": "2022-09-04T14:48:16.076003Z",
"structure_string": "Ba2\n1.0\n3.698491 -6.405974 0.000000\n3.698491 6.405974 0.000000\n0.000000 0.000000 4.071332\nBa\n2\ndirect\n0.666667 0.333333 0.500000 Ba\n0.333333 0.666667 0.500000 Ba\n",
"nsites": 2,
"nelements": 1,
"elements": [
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],
"chemical_system": "Ba",
"density": 2.364061517729881,
"density_atomic": 0.01036701539390541,
"volume": 192.91955534046622,
"volume_molar": 58.08943588084487,
"formula_full": "Ba2",
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"energy": -2.38228657,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:52.180000Z",
"spacegroup": 191
},
{
"id": "mp-1096227",
"created_at": "2022-09-04T14:44:07.657597Z",
"structure_string": "Ca1 Cd2 In1\n1.0\n-6.171129 7.215129 10.273753\n6.171129 -7.215129 10.273753\n6.171129 7.215129 -10.273753\nCa Cd In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.262118 0.262118 Cd\n0.000000 0.737882 0.737882 Cd\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"Cd",
"In"
],
"chemical_system": "Ca-Cd-In",
"density": 0.3445977563086004,
"density_atomic": 0.002186060386695095,
"volume": 1829.7756202641935,
"volume_molar": 275.4791586111821,
"formula_full": "Ca1 Cd2 In1",
"formula_reduced": "CaCd2In",
"formula_anonymous": "ABC2",
"energy": -2.38388471,
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"updated_at": "2021-11-28T01:36:29.224000Z",
"spacegroup": 71
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{
"id": "mp-1095812",
"created_at": "2022-09-04T14:43:12.160835Z",
"structure_string": "La1 Zn1 Hg2\n1.0\n-5.961317 6.364137 8.963696\n5.961317 -6.364137 8.963696\n5.961317 6.364137 -8.963696\nLa Zn Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Zn\n0.000000 0.235202 0.235202 Hg\n0.000000 0.764798 0.764798 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-La-Zn",
"density": 0.7391463410307186,
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"volume": 1360.281673914795,
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"formula_full": "La1 Zn1 Hg2",
"formula_reduced": "LaZnHg2",
"formula_anonymous": "ABC2",
"energy": -2.38838417,
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"updated_at": "2021-11-28T01:36:05.391000Z",
"spacegroup": 71
}
]
}