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=-nsites&page=12165",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12163",
"results": [
{
"id": "mp-1002114",
"created_at": "2022-09-04T14:45:54.582021Z",
"structure_string": "V1 H1\n1.0\n0.000000 1.971110 1.971110\n1.971110 0.000000 1.971110\n1.971110 1.971110 0.000000\nV H\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"H"
],
"chemical_system": "H-V",
"density": 5.632061498970682,
"density_atomic": 0.13057721941756856,
"volume": 15.31660736015726,
"volume_molar": 4.611938274425952,
"formula_full": "V1 H1",
"formula_reduced": "VH",
"formula_anonymous": "AB",
"energy": -12.9610617,
"energy_per_atom": -6.48053085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.7820617,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0106022,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.090000Z",
"spacegroup": 225
},
{
"id": "mp-1073",
"created_at": "2022-09-04T14:45:39.293430Z",
"structure_string": "Ca1 Cd1\n1.0\n3.858266 0.000000 0.000000\n0.000000 3.858266 0.000000\n0.000000 0.000000 3.858266\nCa Cd\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Cd"
],
"chemical_system": "Ca-Cd",
"density": 4.408705776288629,
"density_atomic": 0.0348219829147155,
"volume": 57.43498309382076,
"volume_molar": 17.294077636960445,
"formula_full": "Ca1 Cd1",
"formula_reduced": "CaCd",
"formula_anonymous": "AB",
"energy": -3.63669309,
"energy_per_atom": -1.818346545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.63669309,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0079052,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:04.891000Z",
"spacegroup": 221
},
{
"id": "mp-1059528",
"created_at": "2022-09-04T14:45:42.295403Z",
"structure_string": "Pr2\n1.0\n1.856093 3.217114 0.000000\n-1.856093 3.217114 0.000000\n0.000000 2.158271 6.073481\nPr\n2\ndirect\n0.760648 0.760648 0.749613 Pr\n0.239352 0.239352 0.250387 Pr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Pr"
],
"chemical_system": "Pr",
"density": 6.4517838455787135,
"density_atomic": 0.027573769404710156,
"volume": 72.53270202725201,
"volume_molar": 21.84010706556245,
"formula_full": "Pr2",
"formula_reduced": "Pr",
"formula_anonymous": "A",
"energy": -9.54240858,
"energy_per_atom": -4.77120429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.54240858,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.38e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:13.784000Z",
"spacegroup": 12
},
{
"id": "mp-1009819",
"created_at": "2022-09-04T14:45:42.440614Z",
"structure_string": "Sr1 O1\n1.0\n3.141704 0.000000 0.000000\n0.000000 3.141704 0.000000\n0.000000 0.000000 3.141704\nSr O\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"O"
],
"chemical_system": "O-Sr",
"density": 5.5487400052132445,
"density_atomic": 0.06449621087090815,
"volume": 31.009573632210476,
"volume_molar": 9.337200866037797,
"formula_full": "Sr1 O1",
"formula_reduced": "SrO",
"formula_anonymous": "AB",
"energy": -11.96087841,
"energy_per_atom": -5.980439205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.27387841,
"band_gap": 2.7425999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011184,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.414000Z",
"spacegroup": 221
},
{
"id": "mp-1921",
"created_at": "2022-09-04T14:45:42.075434Z",
"structure_string": "Th1 Te1\n1.0\n3.851567 0.000000 0.000000\n0.000000 3.851567 0.000000\n0.000000 0.000000 3.851567\nTh Te\n1 1\ndirect\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.000000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Th",
"Te"
],
"chemical_system": "Te-Th",
"density": 10.452071515861466,
"density_atomic": 0.03500399591959559,
"volume": 57.13633393724571,
"volume_molar": 17.204152274022935,
"formula_full": "Th1 Te1",
"formula_reduced": "ThTe",
"formula_anonymous": "AB",
"energy": -13.17986071,
"energy_per_atom": -6.589930355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.75786071,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001492,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.649000Z",
"spacegroup": 221
},
{
"id": "mp-11561",
"created_at": "2022-09-04T14:45:42.850704Z",
"structure_string": "Tb1 Rh1\n1.0\n3.446418 0.000000 0.000000\n0.000000 3.446418 0.000000\n0.000000 0.000000 3.446418\nTb Rh\n1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tb",
"Rh"
],
"chemical_system": "Rh-Tb",
"density": 10.621016009933673,
"density_atomic": 0.04885692686567513,
"volume": 40.93585348703375,
"volume_molar": 12.326073591482704,
"formula_full": "Tb1 Rh1",
"formula_reduced": "TbRh",
"formula_anonymous": "AB",
"energy": -13.70327731,
"energy_per_atom": -6.851638655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.70327731,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000175,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.912000Z",
"spacegroup": 221
},
{
"id": "mp-21391",
"created_at": "2022-09-04T14:45:43.026657Z",
"structure_string": "In1 As1\n1.0\n0.000000 2.877304 2.877304\n2.877304 0.000000 2.877304\n2.877304 2.877304 0.000000\nIn As\n1 1\ndirect\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"As"
],
"chemical_system": "As-In",
"density": 6.613324516446396,
"density_atomic": 0.04198003067716204,
"volume": 47.64169934463719,
"volume_molar": 14.345250974950245,
"formula_full": "In1 As1",
"formula_reduced": "InAs",
"formula_anonymous": "AB",
"energy": -7.49249328,
"energy_per_atom": -3.74624664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.49249328,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:11.315000Z",
"spacegroup": 225
},
{
"id": "mp-153",
"created_at": "2022-09-04T14:45:54.713555Z",
"structure_string": "Mg2\n1.0\n1.601514 -2.773903 0.000000\n1.601514 2.773903 0.000000\n0.000000 0.000000 5.126691\nMg\n2\ndirect\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7720891684001192,
"density_atomic": 0.04390771616977905,
"volume": 45.550080360967776,
"volume_molar": 13.715449778152976,
"formula_full": "Mg2",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -3.18178778,
"energy_per_atom": -1.59089389,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.18178778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003055,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:12.196000Z",
"spacegroup": 194
},
{
"id": "mp-2226",
"created_at": "2022-09-04T14:45:52.770952Z",
"structure_string": "Dy1 Pd1\n1.0\n3.512349 0.000000 0.000000\n0.000000 3.512349 0.000000\n0.000000 0.000000 3.512349\nDy Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Dy",
"Pd"
],
"chemical_system": "Dy-Pd",
"density": 10.305740735495254,
"density_atomic": 0.04615693988298815,
"volume": 43.33042886010584,
"volume_molar": 13.047097089336187,
"formula_full": "Dy1 Pd1",
"formula_reduced": "DyPd",
"formula_anonymous": "AB",
"energy": -11.57772531,
"energy_per_atom": -5.788862655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.57772531,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022956,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:08.445000Z",
"spacegroup": 221
},
{
"id": "mp-645",
"created_at": "2022-09-04T14:45:55.355920Z",
"structure_string": "Tb1 P1\n1.0\n0.000000 2.849288 2.849288\n2.849288 0.000000 2.849288\n2.849288 2.849288 0.000000\nTb P\n1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tb",
"P"
],
"chemical_system": "P-Tb",
"density": 6.816053469135878,
"density_atomic": 0.04323056911715061,
"volume": 46.263559348020515,
"volume_molar": 13.930283322619669,
"formula_full": "Tb1 P1",
"formula_reduced": "TbP",
"formula_anonymous": "AB",
"energy": -13.26531921,
"energy_per_atom": -6.632659605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.26531921,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018112,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.137000Z",
"spacegroup": 225
},
{
"id": "mp-1227290",
"created_at": "2022-09-04T14:45:42.896396Z",
"structure_string": "Bi1 Sb1\n1.0\n4.153508 -2.249653 0.000000\n4.153508 2.249653 0.000000\n2.935035 0.000000 3.701099\nBi Sb\n1 1\ndirect\n0.767696 0.767696 0.767696 Bi\n0.232304 0.232304 0.232304 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Bi",
"Sb"
],
"chemical_system": "Bi-Sb",
"density": 7.940448998445383,
"density_atomic": 0.02891603298705823,
"volume": 69.16578082806613,
"volume_molar": 20.826303396096183,
"formula_full": "Bi1 Sb1",
"formula_reduced": "BiSb",
"formula_anonymous": "AB",
"energy": -8.22075942,
"energy_per_atom": -4.11037971,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.02875942,
"band_gap": 0.1101,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006589,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.500000Z",
"spacegroup": 160
},
{
"id": "mp-64",
"created_at": "2022-09-04T14:45:43.133558Z",
"structure_string": "Ce2\n1.0\n1.593703 -3.086210 0.000000\n1.593703 3.086210 0.000000\n0.000000 0.000000 5.281438\nCe\n2\ndirect\n0.899037 0.100963 0.750000 Ce\n0.100963 0.899037 0.250000 Ce\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 8.95677733837446,
"density_atomic": 0.03849594186695973,
"volume": 51.95352816439487,
"volume_molar": 15.643572979230518,
"formula_full": "Ce2",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"energy": -11.78685384,
"energy_per_atom": -5.89342692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.78685384,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.021575,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:16.128000Z",
"spacegroup": 63
}
]
}