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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=12153",
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"results": [
{
"id": "mp-1095888",
"created_at": "2022-09-04T14:39:34.442668Z",
"structure_string": "Tl1 Hg1 Pb2\n1.0\n-5.742107 6.598183 9.379984\n5.742107 -6.598183 9.379984\n5.742107 6.598183 -9.379984\nTl Hg Pb\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n0.000000 0.253090 0.253090 Pb\n0.000000 0.746910 0.746910 Pb\n",
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"volume": 1421.5355543418605,
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{
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"elements": [
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"chemical_system": "Li-Pd-Sr",
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"formula_full": "Sr2 Li1 Pd1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.799000Z",
"spacegroup": 71
},
{
"id": "mp-1096270",
"created_at": "2022-09-04T14:44:02.026539Z",
"structure_string": "Y2 Al1 Pb1\n1.0\n-5.768082 6.523552 9.462443\n5.768082 -6.523552 9.462443\n5.768082 6.523552 -9.462443\nY Al Pb\n2 1 1\ndirect\n0.000000 0.252296 0.252296 Y\n0.000000 0.747704 0.747704 Y\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Al",
"Pb"
],
"chemical_system": "Al-Pb-Y",
"density": 0.4803528415361412,
"density_atomic": 0.002808543593604782,
"volume": 1424.2257122546484,
"volume_molar": 214.42219283021873,
"formula_full": "Y2 Al1 Pb1",
"formula_reduced": "Y2AlPb",
"formula_anonymous": "ABC2",
"energy": -12.21022062,
"energy_per_atom": -3.052555155,
"energy_above_hull": null,
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"is_magnetic": true,
"total_magnetization": 2.0650508,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.262000Z",
"spacegroup": 71
},
{
"id": "mp-1093583",
"created_at": "2022-09-04T14:48:12.060693Z",
"structure_string": "Na2 Hg1 Bi1\n1.0\n-6.194895 6.387509 9.005080\n6.194895 -6.387509 9.005080\n6.194895 6.387509 -9.005080\nNa Hg Bi\n2 1 1\ndirect\n0.000000 0.259856 0.259856 Na\n0.000000 0.740144 0.740144 Na\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Hg",
"Bi"
],
"chemical_system": "Bi-Hg-Na",
"density": 0.5307280583351984,
"density_atomic": 0.0028063830576147554,
"volume": 1425.322173730532,
"volume_molar": 214.587268963861,
"formula_full": "Na2 Hg1 Bi1",
"formula_reduced": "Na2HgBi",
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"energy": -4.45521744,
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"updated_at": "2021-11-28T01:38:41.495000Z",
"spacegroup": 71
},
{
"id": "mp-1093755",
"created_at": "2022-09-04T14:46:11.847803Z",
"structure_string": "Ca1 Cd2 Ag1\n1.0\n-6.076641 6.452671 9.096077\n6.076641 -6.452671 9.096077\n6.076641 6.452671 -9.096077\nCa Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.273937 0.273937 Cd\n0.000000 0.726063 0.726063 Cd\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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"Cd",
"Ag"
],
"chemical_system": "Ag-Ca-Cd",
"density": 0.43388110010760905,
"density_atomic": 0.002803772487947881,
"volume": 1426.6492795667791,
"volume_molar": 214.78706941759341,
"formula_full": "Ca1 Cd2 Ag1",
"formula_reduced": "CaCd2Ag",
"formula_anonymous": "ABC2",
"energy": -3.10897079,
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"energy_uncorrected": -3.10897079,
"band_gap": 0.0,
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"total_magnetization": 0.0004201,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.710000Z",
"spacegroup": 71
},
{
"id": "mp-1093782",
"created_at": "2022-09-04T14:43:17.598886Z",
"structure_string": "Y2 Cd1 Hg1\n1.0\n-6.269136 6.352019 8.973079\n6.269136 -6.352019 8.973079\n6.269136 6.352019 -8.973079\nY Cd Hg\n2 1 1\ndirect\n0.000000 0.253184 0.253184 Y\n0.000000 0.746816 0.746816 Y\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Y",
"density": 0.5702219444984185,
"density_atomic": 0.002798588394633705,
"volume": 1429.2919986626125,
"volume_molar": 215.18494007719963,
"formula_full": "Y2 Cd1 Hg1",
"formula_reduced": "Y2CdHg",
"formula_anonymous": "ABC2",
"energy": -6.73652411,
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"formation_energy": null,
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"energy_uncorrected": -6.73652411,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.044000Z",
"spacegroup": 71
},
{
"id": "mp-1093704",
"created_at": "2022-09-04T14:48:10.558433Z",
"structure_string": "Na1 Tl2 Sn1\n1.0\n-5.890661 6.573377 9.233747\n5.890661 -6.573377 9.233747\n5.890661 6.573377 -9.233747\nNa Tl Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.263610 0.263610 Tl\n0.000000 0.736390 0.736390 Tl\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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"Tl",
"Sn"
],
"chemical_system": "Na-Sn-Tl",
"density": 0.6391302230613114,
"density_atomic": 0.0027968518212001634,
"volume": 1430.1794502232697,
"volume_molar": 215.31854903259858,
"formula_full": "Na1 Tl2 Sn1",
"formula_reduced": "NaTl2Sn",
"formula_anonymous": "ABC2",
"energy": -6.62003085,
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"energy_above_hull": null,
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"band_gap": 0.0716999999999998,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.245000Z",
"spacegroup": 71
},
{
"id": "mp-1096078",
"created_at": "2022-09-04T14:47:29.586320Z",
"structure_string": "In1 Bi1 Pb2\n1.0\n-6.118055 6.397306 9.148473\n6.118055 -6.397306 9.148473\n6.118055 6.397306 -9.148473\nIn Bi Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Bi\n0.000000 0.265335 0.265335 Pb\n0.000000 0.734665 0.734665 Pb\n",
"nsites": 4,
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"elements": [
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"Bi",
"Pb"
],
"chemical_system": "Bi-In-Pb",
"density": 0.8558607174762815,
"density_atomic": 0.0027928067648902576,
"volume": 1432.2508990904635,
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"formula_full": "In1 Bi1 Pb2",
"formula_reduced": "InBiPb2",
"formula_anonymous": "ABC2",
"energy": -9.28400837,
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"energy_above_hull": null,
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"energy_uncorrected": -9.28400837,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.856000Z",
"spacegroup": 71
},
{
"id": "mp-1096612",
"created_at": "2022-09-04T14:48:16.236432Z",
"structure_string": "Mg2 Tl1 Cd1\n1.0\n-6.240350 6.504374 8.823433\n6.240350 -6.504374 8.823433\n6.240350 6.504374 -8.823433\nMg Tl Cd\n2 1 1\ndirect\n0.248040 0.000000 0.248040 Mg\n0.751960 0.000000 0.751960 Mg\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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"Tl",
"Cd"
],
"chemical_system": "Cd-Mg-Tl",
"density": 0.4235558788384849,
"density_atomic": 0.0027922092027623468,
"volume": 1432.5574158421869,
"volume_molar": 215.6765601245876,
"formula_full": "Mg2 Tl1 Cd1",
"formula_reduced": "Mg2TlCd",
"formula_anonymous": "ABC2",
"energy": -1.84454106,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:40:09.403000Z",
"spacegroup": 71
},
{
"id": "mp-1207367",
"created_at": "2022-09-04T14:42:11.540409Z",
"structure_string": "Fe1 Cl6\n1.0\n4.838087 -6.457972 0.000000\n4.838087 6.457972 0.000000\n0.000000 0.000000 40.136177\nFe Cl\n1 6\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.249966 Cl\n0.000000 0.000000 0.750034 Cl\n0.276738 0.040522 0.000000 Cl\n0.723262 0.959478 0.000000 Cl\n0.040522 0.276738 0.000000 Cl\n0.959478 0.723262 0.000000 Cl\n",
"nsites": 7,
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"elements": [
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"density": 0.17781133666659885,
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"volume": 2508.047921485916,
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"formula_full": "Fe1 Cl6",
"formula_reduced": "FeCl6",
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"energy": -22.19696526,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:38.087000Z",
"spacegroup": 65
},
{
"id": "mp-1096669",
"created_at": "2022-09-04T14:41:18.459220Z",
"structure_string": "Tl2 Hg1 Pb1\n1.0\n-5.942191 6.535831 9.233616\n5.942191 -6.535831 9.233616\n5.942191 6.535831 -9.233616\nTl Hg Pb\n2 1 1\ndirect\n0.000000 0.257294 0.257294 Tl\n0.000000 0.742706 0.742706 Tl\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Pb\n",
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"formula_full": "Tl2 Hg1 Pb1",
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"formula_anonymous": "ABC2",
"energy": -5.41379928,
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"updated_at": "2021-11-28T01:35:25.895000Z",
"spacegroup": 71
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{
"id": "mp-1096653",
"created_at": "2022-09-04T14:39:34.363138Z",
"structure_string": "Y2 Ag1 Pb1\n1.0\n-5.842950 6.613923 9.285546\n5.842950 -6.613923 9.285546\n5.842950 6.613923 -9.285546\nY Ag Pb\n2 1 1\ndirect\n0.000000 0.255946 0.255946 Y\n0.000000 0.744054 0.744054 Y\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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],
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"volume": 1435.353066820371,
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"formula_full": "Y2 Ag1 Pb1",
"formula_reduced": "Y2AgPb",
"formula_anonymous": "ABC2",
"energy": -12.1236985,
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"band_gap": 0.0,
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"total_magnetization": 0.003982,
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"updated_at": "2021-11-28T01:34:27.869000Z",
"spacegroup": 71
}
]
}