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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=78",
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"results": [
{
"id": "mp-1186875",
"created_at": "2022-09-04T14:40:56.444883Z",
"structure_string": "Rb3 Tb1\n1.0\n-3.119746 3.119746 6.805386\n3.119746 -3.119746 6.805386\n3.119746 3.119746 -6.805386\nRb Tb\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Tb\n",
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"formula_full": "Rb3 Tb1",
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{
"id": "mp-866104",
"created_at": "2022-09-04T14:39:36.620697Z",
"structure_string": "Ca1 Cd1 Hg2\n1.0\n0.000000 3.681838 3.681838\n3.681838 0.000000 3.681838\n3.681838 3.681838 0.000000\nCa Cd Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ca-Cd-Hg",
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"volume": 99.82148419124594,
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"updated_at": "2021-11-28T01:34:40.870000Z",
"spacegroup": 225
},
{
"id": "mp-1186024",
"created_at": "2022-09-04T14:40:38.561225Z",
"structure_string": "Na3 Cd1\n1.0\n0.000000 3.934776 3.934776\n3.934776 0.000000 3.934776\n3.934776 3.934776 0.000000\nNa Cd\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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"Cd"
],
"chemical_system": "Cd-Na",
"density": 2.4720041479917594,
"density_atomic": 0.03282992982190054,
"volume": 121.84004113623287,
"volume_molar": 18.343446948164615,
"formula_full": "Na3 Cd1",
"formula_reduced": "Na3Cd",
"formula_anonymous": "AB3",
"energy": -5.02368393,
"energy_per_atom": -1.2559209825,
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"band_gap": 0.0,
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"total_magnetization": 0.0091384,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.697000Z",
"spacegroup": 225
},
{
"id": "mp-1185755",
"created_at": "2022-09-04T14:47:04.752407Z",
"structure_string": "Mg2 Cd1 Hg1\n1.0\n0.000000 3.490687 3.490687\n3.490687 0.000000 3.490687\n3.490687 3.490687 0.000000\nMg Cd Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Mg",
"density": 7.058753384479772,
"density_atomic": 0.047021585611227226,
"volume": 85.06731425587932,
"volume_molar": 12.8071835131015,
"formula_full": "Mg2 Cd1 Hg1",
"formula_reduced": "Mg2CdHg",
"formula_anonymous": "ABC2",
"energy": -5.02411891,
"energy_per_atom": -1.2560297275,
"energy_above_hull": null,
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"energy_uncorrected": -5.02411891,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.452000Z",
"spacegroup": 225
},
{
"id": "mp-1093623",
"created_at": "2022-09-04T14:42:59.274818Z",
"structure_string": "Li1 Hg2 Pt1\n1.0\n-5.228181 5.341654 7.547789\n5.228181 -5.341654 7.547789\n5.228181 5.341654 -7.547789\nLi Hg Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.751962 0.000000 0.751962 Hg\n0.248038 0.000000 0.248038 Hg\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Hg",
"Pt"
],
"chemical_system": "Hg-Li-Pt",
"density": 1.1879766920574626,
"density_atomic": 0.004744100504234241,
"volume": 843.1524577588289,
"volume_molar": 126.93956956909055,
"formula_full": "Li1 Hg2 Pt1",
"formula_reduced": "LiHg2Pt",
"formula_anonymous": "ABC2",
"energy": -5.02829707,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.9999802,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.245000Z",
"spacegroup": 71
},
{
"id": "mp-1185876",
"created_at": "2022-09-04T14:46:55.181772Z",
"structure_string": "Mg2 Hg4\n1.0\n1.752089 -7.847085 0.000000\n1.752089 7.847085 0.000000\n0.000000 0.000000 5.046328\nMg Hg\n2 4\ndirect\n0.608468 0.391532 0.250000 Mg\n0.391532 0.608468 0.750000 Mg\n0.272160 0.727840 0.250000 Hg\n0.942913 0.057087 0.250000 Hg\n0.727840 0.272160 0.750000 Hg\n0.057087 0.942913 0.750000 Hg\n",
"nsites": 6,
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"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.183412974600557,
"density_atomic": 0.0432395593532894,
"volume": 138.7618211133217,
"volume_molar": 13.92738698097272,
"formula_full": "Mg2 Hg4",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy": -5.03049026,
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"formation_energy": null,
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"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0013595,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.617000Z",
"spacegroup": 63
},
{
"id": "mp-990248",
"created_at": "2022-09-04T14:43:10.789575Z",
"structure_string": "Ti1 Ag1 F6\n1.0\n-5.262920 0.000000 0.000000\n2.620664 4.787547 0.000000\n-0.040191 -2.842972 -4.843993\nTi Ag F\n1 1 6\ndirect\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ag\n0.423069 0.003899 0.290931 F\n0.576931 0.996101 0.709069 F\n0.256932 0.413443 0.727376 F\n0.743068 0.586557 0.272624 F\n0.849272 0.641508 0.741204 F\n0.150728 0.358492 0.258796 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Ag",
"F"
],
"chemical_system": "Ag-F-Ti",
"density": 3.6696781019523264,
"density_atomic": 0.06554607054985631,
"volume": 122.05155752113257,
"volume_molar": 9.187645742118713,
"formula_full": "Ti1 Ag1 F6",
"formula_reduced": "TiAgF6",
"formula_anonymous": "ABC6",
"energy": -7.80386425,
"energy_per_atom": -0.97548303125,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -5.03186425,
"band_gap": 0.0,
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"total_magnetization": 0.8639293,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.119000Z",
"spacegroup": 2
},
{
"id": "mp-1093856",
"created_at": "2022-09-04T14:47:44.030623Z",
"structure_string": "Mg1 Ti1 Zn2\n1.0\n-5.525518 5.565561 7.894743\n5.525518 -5.565561 7.894743\n5.525518 5.565561 -7.894743\nMg Ti Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ti\n0.000000 0.254311 0.254311 Zn\n0.000000 0.745689 0.745689 Zn\n",
"nsites": 4,
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"elements": [
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"Ti",
"Zn"
],
"chemical_system": "Mg-Ti-Zn",
"density": 0.3470913637180988,
"density_atomic": 0.004118888712967315,
"volume": 971.1357307146895,
"volume_molar": 146.20790168573288,
"formula_full": "Mg1 Ti1 Zn2",
"formula_reduced": "MgTiZn2",
"formula_anonymous": "ABC2",
"energy": -5.03329618,
"energy_per_atom": -1.258324045,
"energy_above_hull": null,
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"energy_uncorrected": -5.03329618,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.366000Z",
"spacegroup": 71
},
{
"id": "mp-1185019",
"created_at": "2022-09-04T14:40:02.205783Z",
"structure_string": "K1 Yb3\n1.0\n0.000000 4.529827 4.529827\n4.529827 0.000000 4.529827\n4.529827 4.529827 0.000000\nK Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Yb"
],
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"density": 4.986299072535601,
"density_atomic": 0.021517169821658622,
"volume": 185.89805411925988,
"volume_molar": 27.987606222907026,
"formula_full": "K1 Yb3",
"formula_reduced": "KYb3",
"formula_anonymous": "AB3",
"energy": -5.03463258,
"energy_per_atom": -1.258658145,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:46.435000Z",
"spacegroup": 225
},
{
"id": "mp-1216527",
"created_at": "2022-09-04T14:47:11.947851Z",
"structure_string": "Tl1 In1\n1.0\n5.666554 -1.732604 0.000000\n5.666554 1.732604 0.000000\n5.136793 0.000000 2.953829\nTl In\n1 1\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
"nsites": 2,
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"elements": [
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"density": 9.138608211841577,
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"volume": 58.00076078025602,
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"formula_full": "Tl1 In1",
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"updated_at": "2021-11-28T01:38:00.144000Z",
"spacegroup": 166
},
{
"id": "mp-1228677",
"created_at": "2022-09-04T14:43:24.947112Z",
"structure_string": "Au1 Cl1\n1.0\n-2.248431 2.710159 -2.857094\n2.248431 -2.647168 -2.746518\n-2.248431 -2.647168 -2.746518\nAu Cl\n1 1\ndirect\n0.003874 0.103116 0.099242 Au\n0.056126 0.706884 0.650758 Cl\n",
"nsites": 2,
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"volume": 67.48309623709106,
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"formula_full": "Au1 Cl1",
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"total_magnetization": 7.08e-05,
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"updated_at": "2021-11-28T01:36:15.824000Z",
"spacegroup": 8
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{
"id": "mp-1097676",
"created_at": "2022-09-04T14:47:55.581283Z",
"structure_string": "Li2 In1 Ga1\n1.0\n-5.632012 5.699566 7.937797\n5.632012 -5.699566 7.937797\n5.632012 5.699566 -7.937797\nLi In Ga\n2 1 1\ndirect\n0.243624 0.000000 0.243624 Li\n0.756376 0.000000 0.756376 Li\n0.500000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"density": 0.32327771740660316,
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"volume": 1019.2139002192848,
"volume_molar": 153.4462392917282,
"formula_full": "Li2 In1 Ga1",
"formula_reduced": "Li2InGa",
"formula_anonymous": "ABC2",
"energy": -5.043159,
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"updated_at": "2021-11-28T01:38:21.761000Z",
"spacegroup": 71
}
]
}