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{
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"results": [
{
"id": "mp-1093634",
"created_at": "2022-09-04T14:44:59.531857Z",
"structure_string": "Ba1 Sr1 Mg2\n1.0\n-6.954643 7.766033 9.824773\n6.954643 -7.766033 9.824773\n6.954643 7.766033 -9.824773\nBa Sr Mg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.749882 0.000000 0.749882 Mg\n0.250118 0.000000 0.250118 Mg\n",
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"elements": [
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"density": 0.2140130914711982,
"density_atomic": 0.001884531504246206,
"volume": 2122.5434496516737,
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"formula_full": "Ba1 Sr1 Mg2",
"formula_reduced": "BaSrMg2",
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"spacegroup": 71
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{
"id": "mp-1077098",
"created_at": "2022-09-04T14:43:41.639420Z",
"structure_string": "Hg6\n1.0\n6.483430 0.000000 0.000000\n0.000000 6.074048 0.000000\n0.000000 2.490036 5.728988\nHg\n6\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n0.357274 0.583110 0.260136 Hg\n0.857274 0.416890 0.239864 Hg\n0.642726 0.416890 0.739864 Hg\n0.142726 0.583110 0.760136 Hg\n",
"nsites": 6,
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"elements": [
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"formula_full": "Hg6",
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"energy_uncorrected": -1.71442074,
"band_gap": 1.0394,
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"total_magnetization": 0.0003742,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.064000Z",
"spacegroup": 14
},
{
"id": "mp-1184687",
"created_at": "2022-09-04T14:44:08.314888Z",
"structure_string": "Hg2\n1.0\n0.000000 2.970073 6.035906\n1.839716 0.000000 6.035906\n1.839716 2.970073 0.000000\nHg\n2\ndirect\n0.365981 0.365981 0.634019 Hg\n0.634019 0.634019 0.365981 Hg\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Hg",
"density": 10.099456407188216,
"density_atomic": 0.03032072790497509,
"volume": 65.96147712112926,
"volume_molar": 19.861464998048,
"formula_full": "Hg2",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.56896506,
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"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.56896506,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.011643,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.079000Z",
"spacegroup": 69
},
{
"id": "mp-982872",
"created_at": "2022-09-04T14:41:09.697362Z",
"structure_string": "Hg1\n1.0\n2.185404 -2.285153 0.000000\n2.185404 2.285153 0.000000\n-0.204050 0.000000 3.155357\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.568974755876773,
"density_atomic": 0.031730322394322705,
"volume": 31.515595321493592,
"volume_molar": 18.979135116123185,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.28320923,
"energy_per_atom": -0.28320923,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -0.28320923,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.49e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.569000Z",
"spacegroup": 166
},
{
"id": "mp-1095841",
"created_at": "2022-09-04T14:43:07.154275Z",
"structure_string": "Sr2 Mg1 Hg1\n1.0\n-6.381329 7.448308 9.015115\n6.381329 -7.448308 9.015115\n6.381329 7.448308 -9.015115\nSr Mg Hg\n2 1 1\ndirect\n0.743375 0.000000 0.743375 Sr\n0.256625 0.000000 0.256625 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg-Sr",
"density": 0.3876641252406366,
"density_atomic": 0.002333780279763739,
"volume": 1713.9574083661987,
"volume_molar": 258.04231924565124,
"formula_full": "Sr2 Mg1 Hg1",
"formula_reduced": "Sr2MgHg",
"formula_anonymous": "ABC2",
"energy": -1.11959138,
"energy_per_atom": -0.279897845,
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"band_gap": 0.4559999999999999,
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"is_magnetic": false,
"total_magnetization": 0.0002804,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.160000Z",
"spacegroup": 71
},
{
"id": "mp-1184591",
"created_at": "2022-09-04T14:45:11.279327Z",
"structure_string": "Hg2\n1.0\n-3.102453 3.102453 1.637697\n3.102453 -3.102453 1.637697\n3.102453 3.102453 -1.637697\nHg\n2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.250000 0.750000 0.500000 Hg\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.565362558191403,
"density_atomic": 0.03171947780440208,
"volume": 63.05274041183731,
"volume_molar": 18.985623903191232,
"formula_full": "Hg2",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.55788659,
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -0.55788659,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.000124,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.700000Z",
"spacegroup": 141
},
{
"id": "mp-1184569",
"created_at": "2022-09-04T14:39:09.125394Z",
"structure_string": "Hg1\n1.0\n2.360017 -2.156525 0.000000\n2.360017 2.156525 0.000000\n0.389438 0.000000 3.173109\nHg\n1\ndirect\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
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"chemical_system": "Hg",
"density": 10.312732688986728,
"density_atomic": 0.030961028912106007,
"volume": 32.29866820120413,
"volume_molar": 19.450712626818724,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.27885665,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -0.27885665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.07e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.859000Z",
"spacegroup": 166
},
{
"id": "mp-1096604",
"created_at": "2022-09-04T14:39:45.800485Z",
"structure_string": "Mg2 Zn1 Cd1\n1.0\n-5.584512 5.909793 8.355471\n5.584512 -5.909793 8.355471\n5.584512 5.909793 -8.355471\nMg Zn Cd\n2 1 1\ndirect\n0.000000 0.244473 0.244473 Mg\n0.000000 0.755527 0.755527 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Cd"
],
"chemical_system": "Cd-Mg-Zn",
"density": 0.3408745979505121,
"density_atomic": 0.0036263654305097263,
"volume": 1103.0327959633553,
"volume_molar": 166.06546900469215,
"formula_full": "Mg2 Zn1 Cd1",
"formula_reduced": "Mg2ZnCd",
"formula_anonymous": "ABC2",
"energy": -1.10998129,
"energy_per_atom": -0.2774953225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1.10998129,
"band_gap": 0.0691999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.128000Z",
"spacegroup": 71
},
{
"id": "mp-121",
"created_at": "2022-09-04T14:43:08.297363Z",
"structure_string": "Hg1\n1.0\n2.568470 -1.873816 0.000000\n2.568470 1.873816 0.000000\n1.201436 0.000000 2.943599\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
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"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 11.755694544915189,
"density_atomic": 0.035293108981259515,
"volume": 28.334143090964176,
"volume_molar": 17.063219800776775,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.27636913,
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"energy_above_hull": null,
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"energy_uncorrected": -0.27636913,
"band_gap": 0.0,
"is_gap_direct": false,
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"total_magnetization": 2.66e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.748000Z",
"spacegroup": 166
},
{
"id": "mp-1096992",
"created_at": "2022-09-04T14:41:02.796536Z",
"structure_string": "Hg4\n1.0\n-3.227143 3.227143 3.344697\n3.227143 -3.227143 3.344697\n3.227143 3.227143 -3.344697\nHg\n4\ndirect\n0.875000 0.329267 0.954267 Hg\n0.375000 0.920733 0.045733 Hg\n0.670733 0.625000 0.545733 Hg\n0.079267 0.125000 0.454267 Hg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 9.562361874033742,
"density_atomic": 0.02870825525868141,
"volume": 139.33274467421336,
"volume_molar": 20.97703502263133,
"formula_full": "Hg4",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -1.10181619,
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"energy_above_hull": null,
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"energy_uncorrected": -1.10181619,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:01.390000Z",
"spacegroup": 122
},
{
"id": "mp-1097516",
"created_at": "2022-09-04T14:39:46.189037Z",
"structure_string": "Ba1 Sr1 Hg2\n1.0\n-6.600972 7.290481 8.813920\n6.600972 -7.290481 8.813920\n6.600972 7.290481 -8.813920\nBa Sr Hg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.754763 0.000000 0.754763 Hg\n0.245237 0.000000 0.245237 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
"chemical_system": "Ba-Hg-Sr",
"density": 0.6127994414096205,
"density_atomic": 0.0023575820848443967,
"volume": 1696.6535442026848,
"volume_molar": 255.43716160353625,
"formula_full": "Ba1 Sr1 Hg2",
"formula_reduced": "BaSrHg2",
"formula_anonymous": "ABC2",
"energy": -1.09854174,
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"updated_at": "2021-11-28T01:34:24.445000Z",
"spacegroup": 71
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{
"id": "mp-1095766",
"created_at": "2022-09-04T14:46:16.814372Z",
"structure_string": "Sr1 Mg1 Cd2\n1.0\n-6.776225 6.940191 9.586307\n6.776225 -6.940191 9.586307\n6.776225 6.940191 -9.586307\nSr Mg Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n0.765423 0.000000 0.765423 Cd\n0.234577 0.000000 0.234577 Cd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-Mg-Sr",
"density": 0.3100860776937939,
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"volume": 1803.3107233293294,
"volume_molar": 271.494775247666,
"formula_full": "Sr1 Mg1 Cd2",
"formula_reduced": "SrMgCd2",
"formula_anonymous": "ABC2",
"energy": -1.09800768,
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"updated_at": "2021-11-28T01:37:26.541000Z",
"spacegroup": 71
}
]
}