HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=12173",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=12171",
"results": [
{
"id": "mp-1185879",
"created_at": "2022-09-04T14:39:41.840355Z",
"structure_string": "Mg1 Hg3\n1.0\n-2.209937 2.209937 4.927786\n2.209937 -2.209937 4.927786\n2.209937 2.209937 -4.927786\nMg Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Hg\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.799504819607362,
"density_atomic": 0.04155165958356366,
"volume": 96.2657097234753,
"volume_molar": 14.493141357901724,
"formula_full": "Mg1 Hg3",
"formula_reduced": "MgHg3",
"formula_anonymous": "AB3",
"energy": -2.76590621,
"energy_per_atom": -0.6914765525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.76590621,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001405,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.288000Z",
"spacegroup": 139
},
{
"id": "mp-1097399",
"created_at": "2022-09-04T14:43:53.535547Z",
"structure_string": "Li1 In1 Hg2\n1.0\n-5.780514 5.799187 8.289156\n5.780514 -5.799187 8.289156\n5.780514 5.799187 -8.289156\nLi In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 In\n0.000000 0.233308 0.233308 Hg\n0.000000 0.766692 0.766692 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"In",
"Hg"
],
"chemical_system": "Hg-In-Li",
"density": 0.7812611968832194,
"density_atomic": 0.0035987867797832797,
"volume": 1111.4856880298091,
"volume_molar": 167.33808165102397,
"formula_full": "Li1 In1 Hg2",
"formula_reduced": "LiInHg2",
"formula_anonymous": "ABC2",
"energy": -2.75633532,
"energy_per_atom": -0.68908383,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.75633532,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9500247,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.227000Z",
"spacegroup": 71
},
{
"id": "mp-1185883",
"created_at": "2022-09-04T14:48:07.869712Z",
"structure_string": "Mg1 Hg3\n1.0\n3.249562 0.000000 0.000000\n1.624780 -2.728767 5.520741\n0.000000 -5.457538 0.000000\nMg Hg\n1 3\ndirect\n0.750001 0.499999 0.086353 Mg\n0.027500 0.944997 0.007703 Hg\n0.472500 0.055002 0.452702 Hg\n0.250002 0.499999 0.619910 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.618336658424465,
"density_atomic": 0.040854605608719875,
"volume": 97.90817804752601,
"volume_molar": 14.74042074393359,
"formula_full": "Mg1 Hg3",
"formula_reduced": "MgHg3",
"formula_anonymous": "AB3",
"energy": -2.75603689,
"energy_per_atom": -0.6890092225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.75603689,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013799,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.129000Z",
"spacegroup": 44
},
{
"id": "mp-1097187",
"created_at": "2022-09-04T14:40:39.606950Z",
"structure_string": "Li2 Mg1 Zn1\n1.0\n-5.650745 5.804599 7.990925\n5.650745 -5.804599 7.990925\n5.650745 5.804599 -7.990925\nLi Mg Zn\n2 1 1\ndirect\n0.261001 0.000000 0.261001 Li\n0.738999 0.000000 0.738999 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Zn"
],
"chemical_system": "Li-Mg-Zn",
"density": 0.1640805512542381,
"density_atomic": 0.0038152676781840543,
"volume": 1048.4192296315819,
"volume_molar": 157.8432044083037,
"formula_full": "Li2 Mg1 Zn1",
"formula_reduced": "Li2MgZn",
"formula_anonymous": "ABC2",
"energy": -2.7524977,
"energy_per_atom": -0.688124425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.7524977,
"band_gap": 0.6655,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.951000Z",
"spacegroup": 71
},
{
"id": "mp-1097631",
"created_at": "2022-09-04T14:42:04.257047Z",
"structure_string": "Ba2 Mg1 Tl1\n1.0\n-6.718384 7.199873 10.180575\n6.718384 -7.199873 10.180575\n6.718384 7.199873 -10.180575\nBa Mg Tl\n2 1 1\ndirect\n0.000000 0.259968 0.259968 Ba\n0.000000 0.740032 0.740032 Ba\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Tl"
],
"chemical_system": "Ba-Mg-Tl",
"density": 0.4243171338101535,
"density_atomic": 0.002030663830611936,
"volume": 1969.7992054128472,
"volume_molar": 296.56020209830797,
"formula_full": "Ba2 Mg1 Tl1",
"formula_reduced": "Ba2MgTl",
"formula_anonymous": "ABC2",
"energy": -2.74159245,
"energy_per_atom": -0.6853981125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.74159245,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8060041,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.515000Z",
"spacegroup": 71
},
{
"id": "mp-1185881",
"created_at": "2022-09-04T14:47:24.872085Z",
"structure_string": "Mg1 Hg3\n1.0\n3.511034 0.000000 0.000000\n0.000000 5.216129 0.000000\n0.000000 0.000000 5.315846\nMg Hg\n1 3\ndirect\n0.000000 0.500000 0.335457 Mg\n0.500000 0.000000 0.488776 Hg\n0.000000 0.000000 0.007185 Hg\n0.500000 0.500000 0.835247 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.67873256299397,
"density_atomic": 0.04108698201012276,
"volume": 97.35443696045878,
"volume_molar": 14.657053074660734,
"formula_full": "Mg1 Hg3",
"formula_reduced": "MgHg3",
"formula_anonymous": "AB3",
"energy": -2.7323785,
"energy_per_atom": -0.683094625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.7323785,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026035,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.990000Z",
"spacegroup": 25
},
{
"id": "mp-1096253",
"created_at": "2022-09-04T14:41:59.218476Z",
"structure_string": "Li2 Zn1 Cd1\n1.0\n-5.658673 5.675490 8.000385\n5.658673 -5.675490 8.000385\n5.658673 5.675490 -8.000385\nLi Zn Cd\n2 1 1\ndirect\n0.246062 0.000000 0.246062 Li\n0.753938 0.000000 0.753938 Li\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Cd"
],
"chemical_system": "Cd-Li-Zn",
"density": 0.3097325887238335,
"density_atomic": 0.0038919849514323394,
"volume": 1027.7532030353582,
"volume_molar": 154.73186138049465,
"formula_full": "Li2 Zn1 Cd1",
"formula_reduced": "Li2ZnCd",
"formula_anonymous": "ABC2",
"energy": -2.72686733,
"energy_per_atom": -0.6817168325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.72686733,
"band_gap": 0.6759999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.026000Z",
"spacegroup": 71
},
{
"id": "mp-568714",
"created_at": "2022-09-04T14:46:13.922040Z",
"structure_string": "Bi1\n1.0\n-4.257482 4.257482 1.430564\n4.257482 -4.257482 1.430564\n4.257482 4.257482 -1.430564\nBi\n1\ndirect\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 3.3456594246894324,
"density_atomic": 0.009641110839802734,
"volume": 103.72248764857692,
"volume_molar": 62.46314205970917,
"formula_full": "Bi1",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -2.72344529,
"energy_per_atom": -2.72344529,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.72344529,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001033,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:29.762000Z",
"spacegroup": 139
},
{
"id": "mp-1055994",
"created_at": "2022-09-04T14:40:27.916559Z",
"structure_string": "In1\n1.0\n-1.654892 1.654892 2.508362\n1.654892 -1.654892 2.508362\n1.654892 1.654892 -2.508362\nIn\n1\ndirect\n0.000000 0.000000 0.000000 In\n",
"nsites": 1,
"nelements": 1,
"elements": [
"In"
],
"chemical_system": "In",
"density": 6.938563351301882,
"density_atomic": 0.03639238202037771,
"volume": 27.478278268239098,
"volume_molar": 16.547805957378486,
"formula_full": "In1",
"formula_reduced": "In",
"formula_anonymous": "A",
"energy": -2.72188849,
"energy_per_atom": -2.72188849,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.72188849,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.47e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.508000Z",
"spacegroup": 139
},
{
"id": "mp-1184478",
"created_at": "2022-09-04T14:45:36.684642Z",
"structure_string": "In1\n1.0\n-1.915047 1.915047 1.915047\n1.915047 -1.915047 1.915047\n1.915047 1.915047 -1.915047\nIn\n1\ndirect\n0.000000 0.000000 0.000000 In\n",
"nsites": 1,
"nelements": 1,
"elements": [
"In"
],
"chemical_system": "In",
"density": 6.786733137072897,
"density_atomic": 0.03559604092227124,
"volume": 28.093011865663232,
"volume_molar": 16.918007182737423,
"formula_full": "In1",
"formula_reduced": "In",
"formula_anonymous": "A",
"energy": -2.71684631,
"energy_per_atom": -2.71684631,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.71684631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.06e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.153000Z",
"spacegroup": 229
},
{
"id": "mp-85",
"created_at": "2022-09-04T14:47:08.951013Z",
"structure_string": "In1\n1.0\n0.000000 2.398027 2.398027\n2.398027 0.000000 2.398027\n2.398027 2.398027 0.000000\nIn\n1\ndirect\n0.000000 0.000000 0.000000 In\n",
"nsites": 1,
"nelements": 1,
"elements": [
"In"
],
"chemical_system": "In",
"density": 6.913005041584289,
"density_atomic": 0.03625833009580123,
"volume": 27.579869159936887,
"volume_molar": 16.608985422352287,
"formula_full": "In1",
"formula_reduced": "In",
"formula_anonymous": "A",
"energy": -2.71487315,
"energy_per_atom": -2.71487315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.71487315,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.29e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.170000Z",
"spacegroup": 225
},
{
"id": "mp-1095829",
"created_at": "2022-09-04T14:48:06.199986Z",
"structure_string": "Na1 Mg2 Tl1\n1.0\n-6.111598 6.123834 8.819410\n6.111598 -6.123834 8.819410\n6.111598 6.123834 -8.819410\nNa Mg Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.254883 0.254883 Mg\n0.000000 0.745117 0.745117 Mg\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Tl"
],
"chemical_system": "Mg-Na-Tl",
"density": 0.34709936877868136,
"density_atomic": 0.003029578970431725,
"volume": 1320.3154758596659,
"volume_molar": 198.77814108083226,
"formula_full": "Na1 Mg2 Tl1",
"formula_reduced": "NaMg2Tl",
"formula_anonymous": "ABC2",
"energy": -2.71441201,
"energy_per_atom": -0.6786030025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.71441201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000162,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.430000Z",
"spacegroup": 71
}
]
}