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{
"count": 146323,
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"results": [
{
"id": "mp-1185090",
"created_at": "2022-09-04T14:46:52.040991Z",
"structure_string": "K3 Rb1\n1.0\n0.000000 5.415650 5.415650\n5.415650 0.000000 5.415650\n5.415650 5.415650 0.000000\nK Rb\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Rb"
],
"chemical_system": "K-Rb",
"density": 1.0598768341859524,
"density_atomic": 0.012591521982961797,
"volume": 317.6740671550743,
"volume_molar": 47.826948705238756,
"formula_full": "K3 Rb1",
"formula_reduced": "K3Rb",
"formula_anonymous": "AB3",
"energy": -4.2461643,
"energy_per_atom": -1.061541075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.2461643,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00207,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.512000Z",
"spacegroup": 225
},
{
"id": "mp-1184697",
"created_at": "2022-09-04T14:41:15.906136Z",
"structure_string": "Hg6 Bi2\n1.0\n3.371061 -5.838849 0.000000\n3.371061 5.838849 0.000000\n0.000000 0.000000 5.518650\nHg Bi\n6 2\ndirect\n0.165346 0.330692 0.250000 Hg\n0.669308 0.834654 0.250000 Hg\n0.165346 0.834654 0.250000 Hg\n0.834654 0.669308 0.750000 Hg\n0.330692 0.165346 0.750000 Hg\n0.834654 0.165346 0.750000 Hg\n0.333333 0.666667 0.750000 Bi\n0.666667 0.333333 0.250000 Bi\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hg",
"Bi"
],
"chemical_system": "Bi-Hg",
"density": 12.393944939054077,
"density_atomic": 0.036824196951597735,
"volume": 217.24845786902884,
"volume_molar": 16.353759914752764,
"formula_full": "Hg6 Bi2",
"formula_reduced": "Hg3Bi",
"formula_anonymous": "AB3",
"energy": -8.4906636,
"energy_per_atom": -1.06133295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.4906636,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001557,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.801000Z",
"spacegroup": 194
},
{
"id": "mp-1199937",
"created_at": "2022-09-04T14:43:05.016061Z",
"structure_string": "K81\n1.0\n-11.595292 -11.595292 11.595292\n-11.595292 11.595292 -11.595292\n11.595292 -11.595292 -11.595292\nK\n81\ndirect\n0.000000 0.000000 0.000000 K\n0.099949 0.500000 0.599949 K\n0.900051 0.500000 0.400051 K\n0.500000 0.599949 0.099949 K\n0.500000 0.400051 0.900051 K\n0.599949 0.099949 0.500000 K\n0.400051 0.900051 0.500000 K\n0.302565 0.500000 0.802565 K\n0.697435 0.500000 0.197435 K\n0.500000 0.802565 0.302565 K\n0.500000 0.197435 0.697435 K\n0.802565 0.302565 0.500000 K\n0.197435 0.697435 0.500000 K\n-0.000000 -0.000000 0.627555 K\n0.627555 -0.000000 -0.000000 K\n0.000000 0.627555 0.000000 K\n0.372445 0.372445 0.372445 K\n0.000000 0.000000 0.372445 K\n0.372445 0.000000 0.000000 K\n-0.000000 0.372445 -0.000000 K\n0.627555 0.627555 0.627555 K\n0.158734 0.060826 0.902092 K\n0.841266 0.939174 0.097908 K\n0.841266 0.743358 0.902092 K\n0.158734 0.256642 0.097908 K\n0.060826 0.902092 0.158734 K\n0.939174 0.097908 0.841266 K\n0.743358 0.902092 0.841266 K\n0.256642 0.097908 0.158734 K\n0.902092 0.158734 0.060826 K\n0.097908 0.841266 0.939174 K\n0.902092 0.841266 0.743358 K\n0.097908 0.158734 0.256642 K\n0.308045 0.122823 0.814777 K\n0.691955 0.877177 0.185223 K\n0.691955 0.506732 0.814777 K\n0.308045 0.493268 0.185223 K\n0.122823 0.814777 0.308045 K\n0.877177 0.185223 0.691955 K\n0.506732 0.814777 0.691955 K\n0.493268 0.185223 0.308045 K\n0.814777 0.308045 0.122823 K\n0.185223 0.691955 0.877177 K\n0.814777 0.691955 0.506732 K\n0.185223 0.308045 0.493268 K\n0.127557 0.825280 0.697723 K\n0.872443 0.174720 0.302277 K\n0.872443 0.570166 0.697723 K\n0.127557 0.429834 0.302277 K\n0.825280 0.697723 0.127557 K\n0.174720 0.302277 0.872443 K\n0.570166 0.697723 0.872443 K\n0.429834 0.302277 0.127557 K\n0.697723 0.127557 0.825280 K\n0.302277 0.872443 0.174720 K\n0.697723 0.872443 0.570166 K\n0.302277 0.127557 0.429834 K\n0.247295 0.211588 0.654606 K\n0.443018 0.788412 0.035707 K\n0.752705 0.407311 0.964293 K\n0.556982 0.592689 0.345394 K\n0.211588 0.654606 0.247295 K\n0.788412 0.035707 0.443018 K\n0.407311 0.964293 0.752705 K\n0.592689 0.345394 0.556982 K\n0.654606 0.247295 0.211588 K\n0.035707 0.443018 0.788412 K\n0.964293 0.752705 0.407311 K\n0.345394 0.556982 0.592689 K\n0.752705 0.788412 0.345394 K\n0.556982 0.211588 0.964293 K\n0.247295 0.592689 0.035707 K\n0.443018 0.407311 0.654606 K\n0.788412 0.345394 0.752705 K\n0.211588 0.964293 0.556982 K\n0.592689 0.035707 0.247295 K\n0.407311 0.654606 0.443018 K\n0.345394 0.752705 0.788412 K\n0.964293 0.556982 0.211588 K\n0.035707 0.247295 0.592689 K\n0.654606 0.443018 0.407311 K\n",
"nsites": 81,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8433093786697587,
"density_atomic": 0.012989126852912938,
"volume": 6235.984983227334,
"volume_molar": 46.36293746449536,
"formula_full": "K81",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -85.90866139,
"energy_per_atom": -1.0606007579012346,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.90866139,
"band_gap": 0.1197999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.5691797,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.326000Z",
"spacegroup": 204
},
{
"id": "mp-255",
"created_at": "2022-09-04T14:46:29.472030Z",
"structure_string": "Na4 Hg4\n1.0\n3.650292 -5.433143 0.000000\n3.650292 5.433143 0.000000\n0.000000 0.000000 5.396051\nNa Hg\n4 4\ndirect\n0.826337 0.173663 0.750000 Na\n0.173663 0.826337 0.250000 Na\n0.373915 0.626085 0.750000 Na\n0.626085 0.373915 0.250000 Na\n0.693539 0.880984 0.250000 Hg\n0.306461 0.119016 0.750000 Hg\n0.880984 0.693539 0.750000 Hg\n0.119016 0.306461 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Hg"
],
"chemical_system": "Hg-Na",
"density": 6.938359664765078,
"density_atomic": 0.0373770656385582,
"volume": 214.0349934733024,
"volume_molar": 16.111860728273854,
"formula_full": "Na4 Hg4",
"formula_reduced": "NaHg",
"formula_anonymous": "AB",
"energy": -8.48186951,
"energy_per_atom": -1.06023368875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.48186951,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021369,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:42Z",
"spacegroup": 63
},
{
"id": "mp-1096726",
"created_at": "2022-09-04T14:42:19.617879Z",
"structure_string": "Ba1 Na2 Sn1\n1.0\n-6.894444 7.237143 10.015856\n6.894444 -7.237143 10.015856\n6.894444 7.237143 -10.015856\nBa Na Sn\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.216022 0.216022 Na\n0.000000 0.783978 0.783978 Na\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Sn"
],
"chemical_system": "Ba-Na-Sn",
"density": 0.250879605170803,
"density_atomic": 0.002000992798444065,
"volume": 1999.0076941357943,
"volume_molar": 300.95764286021955,
"formula_full": "Ba1 Na2 Sn1",
"formula_reduced": "BaNa2Sn",
"formula_anonymous": "ABC2",
"energy": -4.23691662,
"energy_per_atom": -1.059229155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.23691662,
"band_gap": 0.1966000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.0003691,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.633000Z",
"spacegroup": 71
},
{
"id": "mp-982376",
"created_at": "2022-09-04T14:40:58.800328Z",
"structure_string": "Sr2 Hg6\n1.0\n5.514026 0.000000 0.000000\n0.000000 5.830686 0.000000\n0.000000 0.000000 7.056331\nSr Hg\n2 6\ndirect\n0.500000 0.845200 0.500000 Sr\n0.000000 0.154800 0.000000 Sr\n0.500000 0.336796 0.245800 Hg\n0.500000 0.336796 0.754200 Hg\n0.500000 0.808927 0.000000 Hg\n0.000000 0.663204 0.745800 Hg\n0.000000 0.663204 0.254200 Hg\n0.000000 0.191073 0.500000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Hg"
],
"chemical_system": "Hg-Sr",
"density": 10.09198658153635,
"density_atomic": 0.035263269709769965,
"volume": 226.86495228159563,
"volume_molar": 17.07765845188065,
"formula_full": "Sr2 Hg6",
"formula_reduced": "SrHg3",
"formula_anonymous": "AB3",
"energy": -8.47345778,
"energy_per_atom": -1.0591822225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.47345778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0055575,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.596000Z",
"spacegroup": 59
},
{
"id": "mp-1104861",
"created_at": "2022-09-04T14:47:45.328738Z",
"structure_string": "Ba3 Cd1 Hg10\n1.0\n-2.682622 5.122339 7.703465\n2.682622 -5.122339 7.703465\n2.682622 5.122339 -7.703465\nBa Cd Hg\n3 1 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.706369 0.706369 0.000000 Ba\n0.293631 0.293631 0.000000 Ba\n0.500000 0.000000 0.500000 Cd\n0.152015 0.859939 0.292076 Hg\n0.847985 0.140061 0.707924 Hg\n0.432137 0.140061 0.292076 Hg\n0.567863 0.859939 0.707924 Hg\n0.015167 0.658683 0.356484 Hg\n0.984833 0.341317 0.643516 Hg\n0.697801 0.341317 0.356484 Hg\n0.302199 0.658683 0.643516 Hg\n0.675536 0.500000 0.175536 Hg\n0.324464 0.500000 0.824464 Hg\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Hg"
],
"chemical_system": "Ba-Cd-Hg",
"density": 9.923064994225262,
"density_atomic": 0.033063904032066625,
"volume": 423.42247262822536,
"volume_molar": 18.213640936531576,
"formula_full": "Ba3 Cd1 Hg10",
"formula_reduced": "Ba3CdHg10",
"formula_anonymous": "AB3C10",
"energy": -14.820180589999998,
"energy_per_atom": -1.0585843278571427,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.820180589999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0073846,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.273000Z",
"spacegroup": 71
},
{
"id": "mp-680434",
"created_at": "2022-09-04T14:47:19.717755Z",
"structure_string": "Na26 Cd141\n1.0\n10.851371 -18.795126 0.000000\n10.851371 18.795126 0.000000\n0.000000 0.000000 9.806433\nNa Cd\n26 141\ndirect\n0.241638 0.758362 0.000000 Na\n0.758362 0.241638 0.000000 Na\n0.516724 0.758362 0.000000 Na\n0.723582 0.723582 0.691450 Na\n0.575600 0.151199 0.500000 Na\n0.241638 0.483276 0.000000 Na\n0.000000 0.000000 0.823708 Na\n0.000000 0.723582 0.691450 Na\n0.424400 0.848801 0.500000 Na\n0.000000 0.000000 0.176292 Na\n0.848801 0.424400 0.500000 Na\n0.723582 0.000000 0.691450 Na\n0.575600 0.424400 0.500000 Na\n0.424400 0.575600 0.500000 Na\n0.723582 0.723582 0.308550 Na\n0.000000 0.723582 0.308550 Na\n0.758362 0.516724 0.000000 Na\n0.000000 0.276418 0.691450 Na\n0.000000 0.276418 0.308550 Na\n0.483276 0.241638 0.000000 Na\n0.276418 0.000000 0.691450 Na\n0.276418 0.000000 0.308550 Na\n0.723582 0.000000 0.308550 Na\n0.151199 0.575600 0.500000 Na\n0.276418 0.276418 0.308550 Na\n0.276418 0.276418 0.691450 Na\n0.357718 0.178859 0.243085 Cd\n0.811230 0.905615 0.238369 Cd\n0.188770 0.094385 0.238369 Cd\n0.178859 0.357718 0.756915 Cd\n0.591852 0.720994 0.500000 Cd\n0.420428 0.000000 0.500000 Cd\n0.821141 0.642282 0.756915 Cd\n0.150329 0.150329 0.000000 Cd\n0.454449 0.110888 0.224029 Cd\n0.178859 0.821141 0.756915 Cd\n0.110888 0.656439 0.224029 Cd\n0.591852 0.870857 0.500000 Cd\n0.545551 0.889112 0.224029 Cd\n0.083440 0.766779 0.000000 Cd\n0.233221 0.916560 0.000000 Cd\n0.446247 0.553753 0.000000 Cd\n0.094385 0.905615 0.238369 Cd\n0.656439 0.545551 0.224029 Cd\n0.821141 0.642282 0.243085 Cd\n0.889112 0.545551 0.224029 Cd\n0.138265 0.138265 0.500000 Cd\n0.579572 0.579572 0.500000 Cd\n0.110888 0.454449 0.775971 Cd\n0.761606 0.380803 0.161258 Cd\n0.476292 0.738146 0.654670 Cd\n0.107506 0.553753 0.000000 Cd\n0.129143 0.408148 0.500000 Cd\n0.150329 0.000000 0.000000 Cd\n0.642282 0.821141 0.756915 Cd\n0.094385 0.188770 0.238369 Cd\n0.606640 0.000000 0.000000 Cd\n0.343561 0.454449 0.224029 Cd\n0.000000 0.579572 0.500000 Cd\n0.454449 0.343561 0.224029 Cd\n0.000000 0.500000 0.246198 Cd\n0.136498 0.272996 0.500000 Cd\n0.000000 0.861735 0.500000 Cd\n0.138265 0.000000 0.500000 Cd\n0.333333 0.666667 0.500000 Cd\n0.863502 0.727004 0.500000 Cd\n0.279006 0.870857 0.500000 Cd\n0.861735 0.861735 0.500000 Cd\n0.870857 0.279006 0.500000 Cd\n0.870857 0.591852 0.500000 Cd\n0.083440 0.316660 0.000000 Cd\n0.849671 0.000000 0.000000 Cd\n0.380803 0.761606 0.838742 Cd\n0.905615 0.811230 0.761631 Cd\n0.233221 0.316660 0.000000 Cd\n0.136498 0.863502 0.500000 Cd\n0.000000 0.420428 0.500000 Cd\n0.553753 0.107506 0.000000 Cd\n0.738146 0.476292 0.654670 Cd\n0.343561 0.889112 0.224029 Cd\n0.683340 0.916560 0.000000 Cd\n0.261854 0.523708 0.654670 Cd\n0.811230 0.905615 0.761631 Cd\n0.821141 0.178859 0.756915 Cd\n0.408148 0.279006 0.500000 Cd\n0.892494 0.446247 0.000000 Cd\n0.094385 0.188770 0.761631 Cd\n0.738146 0.476292 0.345330 Cd\n0.738146 0.261854 0.654670 Cd\n0.000000 0.606640 0.000000 Cd\n0.863502 0.136498 0.500000 Cd\n0.000000 0.138265 0.500000 Cd\n0.905615 0.094385 0.238369 Cd\n0.446247 0.892494 0.000000 Cd\n0.545551 0.656439 0.224029 Cd\n0.656439 0.545551 0.775971 Cd\n0.261854 0.523708 0.345330 Cd\n0.178859 0.357718 0.243085 Cd\n0.238394 0.619197 0.838742 Cd\n0.454449 0.343561 0.775971 Cd\n0.545551 0.889112 0.775971 Cd\n0.000000 0.849671 0.000000 Cd\n0.188770 0.094385 0.761631 Cd\n0.420428 0.420428 0.500000 Cd\n0.000000 0.393360 0.000000 Cd\n0.000000 0.500000 0.753802 Cd\n0.619197 0.380803 0.161258 Cd\n0.000000 0.150329 0.000000 Cd\n0.110888 0.454449 0.224029 Cd\n0.523708 0.261854 0.345330 Cd\n0.408148 0.129143 0.500000 Cd\n0.889112 0.545551 0.775971 Cd\n0.316660 0.233221 0.000000 Cd\n0.500000 0.000000 0.753802 Cd\n0.129143 0.720994 0.500000 Cd\n0.727004 0.863502 0.500000 Cd\n0.380803 0.619197 0.161258 Cd\n0.720994 0.591852 0.500000 Cd\n0.393360 0.000000 0.000000 Cd\n0.916560 0.233221 0.000000 Cd\n0.766779 0.083440 0.000000 Cd\n0.357718 0.178859 0.756915 Cd\n0.849671 0.849671 0.000000 Cd\n0.272996 0.136498 0.500000 Cd\n0.500000 0.500000 0.246198 Cd\n0.500000 0.500000 0.753802 Cd\n0.821141 0.178859 0.243085 Cd\n0.523708 0.261854 0.654670 Cd\n0.666667 0.333333 0.500000 Cd\n0.178859 0.821141 0.243085 Cd\n0.619197 0.238394 0.161258 Cd\n0.343561 0.454449 0.775971 Cd\n0.619197 0.380803 0.838742 Cd\n0.861735 0.000000 0.500000 Cd\n0.380803 0.619197 0.838742 Cd\n0.545551 0.656439 0.775971 Cd\n0.656439 0.110888 0.775971 Cd\n0.761606 0.380803 0.838742 Cd\n0.738146 0.261854 0.345330 Cd\n0.261854 0.738146 0.345330 Cd\n0.393360 0.393360 0.000000 Cd\n0.656439 0.110888 0.224029 Cd\n0.238394 0.619197 0.161258 Cd\n0.889112 0.343561 0.775971 Cd\n0.553753 0.446247 0.000000 Cd\n0.316660 0.083440 0.000000 Cd\n0.905615 0.094385 0.761631 Cd\n0.476292 0.738146 0.345330 Cd\n0.343561 0.889112 0.775971 Cd\n0.619197 0.238394 0.838742 Cd\n0.720994 0.129143 0.500000 Cd\n0.454449 0.110888 0.775971 Cd\n0.916560 0.683340 0.000000 Cd\n0.889112 0.343561 0.224029 Cd\n0.094385 0.905615 0.761631 Cd\n0.000000 0.000000 0.500000 Cd\n0.279006 0.408148 0.500000 Cd\n0.905615 0.811230 0.238369 Cd\n0.579572 0.000000 0.500000 Cd\n0.261854 0.738146 0.654670 Cd\n0.766779 0.683340 0.000000 Cd\n0.500000 0.000000 0.246198 Cd\n0.683340 0.766779 0.000000 Cd\n0.606640 0.606640 0.000000 Cd\n0.380803 0.761606 0.161258 Cd\n0.110888 0.656439 0.775971 Cd\n0.642282 0.821141 0.243085 Cd\n",
"nsites": 167,
"nelements": 2,
"elements": [
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],
"chemical_system": "Cd-Na",
"density": 6.827834141102784,
"density_atomic": 0.04174894992948211,
"volume": 4000.1006080890334,
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"formula_full": "Na26 Cd141",
"formula_reduced": "Na26Cd141",
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"updated_at": "2021-11-28T01:38:07.081000Z",
"spacegroup": 191
},
{
"id": "mp-1096716",
"created_at": "2022-09-04T14:41:11.588042Z",
"structure_string": "Ca1 Y1 Cd2\n1.0\n-6.449112 6.484018 9.170540\n6.449112 -6.484018 9.170540\n6.449112 6.484018 -9.170540\nCa Y Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.255929 0.255929 Cd\n0.000000 0.744071 0.744071 Cd\n",
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"elements": [
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],
"chemical_system": "Ca-Cd-Y",
"density": 0.38301437600139276,
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"volume": 1533.9070090530577,
"volume_molar": 230.9350980317027,
"formula_full": "Ca1 Y1 Cd2",
"formula_reduced": "CaYCd2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:09.913000Z",
"spacegroup": 71
},
{
"id": "mp-976115",
"created_at": "2022-09-04T14:40:42.539403Z",
"structure_string": "K6 Rb2\n1.0\n4.799152 -8.312374 0.000000\n4.799152 8.312374 0.000000\n0.000000 0.000000 7.808540\nK Rb\n6 2\ndirect\n0.165220 0.330441 0.250000 K\n0.669559 0.834780 0.250000 K\n0.165220 0.834780 0.250000 K\n0.834780 0.669559 0.750000 K\n0.330441 0.165220 0.750000 K\n0.834780 0.165220 0.750000 K\n0.333333 0.666667 0.750000 Rb\n0.666667 0.333333 0.250000 Rb\n",
"nsites": 8,
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"elements": [
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],
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"density": 1.0808806528324195,
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"volume": 623.0019636617499,
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"formula_full": "K6 Rb2",
"formula_reduced": "K3Rb",
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"spacegroup": 194
},
{
"id": "mp-1185119",
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"structure_string": "K3 Rb1\n1.0\n-3.302089 3.302089 7.130011\n3.302089 -3.302089 7.130011\n3.302089 3.302089 -7.130011\nK Rb\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Rb\n",
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"volume": 310.97662087386453,
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"formula_full": "K3 Rb1",
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"updated_at": "2021-11-28T01:34:59.204000Z",
"spacegroup": 139
},
{
"id": "mp-1203422",
"created_at": "2022-09-04T14:39:14.015663Z",
"structure_string": "Na6 Cd33\n1.0\n9.793417 0.000000 0.000000\n0.000000 9.793417 0.000000\n0.000000 0.000000 9.793417\nNa Cd\n6 33\ndirect\n0.500000 0.197272 0.000000 Na\n0.500000 0.802728 0.000000 Na\n0.000000 0.500000 0.197272 Na\n0.000000 0.500000 0.802728 Na\n0.197272 0.000000 0.500000 Na\n0.802728 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Cd\n0.733531 0.000000 0.156948 Cd\n0.266469 0.000000 0.843052 Cd\n0.266469 0.000000 0.156948 Cd\n0.733531 0.000000 0.843052 Cd\n0.156948 0.733531 0.000000 Cd\n0.843052 0.266469 0.000000 Cd\n0.156948 0.266469 0.000000 Cd\n0.843052 0.733531 0.000000 Cd\n0.000000 0.156948 0.733531 Cd\n0.000000 0.843052 0.266469 Cd\n0.000000 0.156948 0.266469 Cd\n0.000000 0.843052 0.733531 Cd\n0.500000 0.267547 0.500000 Cd\n0.500000 0.732453 0.500000 Cd\n0.500000 0.500000 0.267547 Cd\n0.500000 0.500000 0.732453 Cd\n0.267547 0.500000 0.500000 Cd\n0.732453 0.500000 0.500000 Cd\n0.000000 0.339404 0.500000 Cd\n0.000000 0.660596 0.500000 Cd\n0.500000 0.000000 0.339404 Cd\n0.500000 0.000000 0.660596 Cd\n0.339404 0.500000 0.000000 Cd\n0.660596 0.500000 0.000000 Cd\n0.718599 0.281401 0.281401 Cd\n0.281401 0.281401 0.718599 Cd\n0.281401 0.718599 0.281401 Cd\n0.718599 0.718599 0.718599 Cd\n0.281401 0.718599 0.718599 Cd\n0.718599 0.718599 0.281401 Cd\n0.718599 0.281401 0.718599 Cd\n0.281401 0.281401 0.281401 Cd\n",
"nsites": 39,
"nelements": 2,
"elements": [
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],
"chemical_system": "Cd-Na",
"density": 6.801820509982636,
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"volume": 939.2965798298563,
"volume_molar": 14.504041587492233,
"formula_full": "Na6 Cd33",
"formula_reduced": "Na2Cd11",
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"updated_at": "2021-11-28T01:34:37.477000Z",
"spacegroup": 200
}
]
}