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=117",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=115",
"results": [
{
"id": "mp-1002222",
"created_at": "2022-09-04T14:47:07.985808Z",
"structure_string": "Tl1 N1\n1.0\n0.000000 2.473556 2.473556\n2.473556 0.000000 2.473556\n2.473556 2.473556 0.000000\nTl N\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"N"
],
"chemical_system": "N-Tl",
"density": 11.980821812552252,
"density_atomic": 0.06607463290498793,
"volume": 30.26880229324772,
"volume_molar": 9.114149402327428,
"formula_full": "Tl1 N1",
"formula_reduced": "TlN",
"formula_anonymous": "AB",
"energy": -8.756765000000001,
"energy_per_atom": -4.378382500000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.395765,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001265,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.462000Z",
"spacegroup": 225
},
{
"id": "mp-2627",
"created_at": "2022-09-04T14:48:21.378875Z",
"structure_string": "Dy1 As1\n1.0\n0.000000 2.913097 2.913097\n2.913097 0.000000 2.913097\n2.913097 2.913097 0.000000\nDy As\n1 1\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Dy",
"As"
],
"chemical_system": "As-Dy",
"density": 7.973968052085133,
"density_atomic": 0.04045154951528798,
"volume": 49.441863759610335,
"volume_molar": 14.887293149855813,
"formula_full": "Dy1 As1",
"formula_reduced": "DyAs",
"formula_anonymous": "AB",
"energy": -12.31814041,
"energy_per_atom": -6.159070205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.31814041,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017256,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:00.576000Z",
"spacegroup": 225
},
{
"id": "mp-1185562",
"created_at": "2022-09-04T14:48:27.371000Z",
"structure_string": "Cs1 Gd1\n1.0\n1.974693 -3.420269 0.000000\n1.974693 3.420269 0.000000\n0.000000 0.000000 7.499619\nCs Gd\n1 1\ndirect\n0.000000 0.000000 0.500000 Cs\n0.666667 0.333333 0.000000 Gd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"Gd"
],
"chemical_system": "Cs-Gd",
"density": 4.756097899172992,
"density_atomic": 0.01974244553359576,
"volume": 101.30457225254065,
"volume_molar": 30.50351968681951,
"formula_full": "Cs1 Gd1",
"formula_reduced": "CsGd",
"formula_anonymous": "AB",
"energy": -13.70768088,
"energy_per_atom": -6.85384044,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.70768088,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.540798,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:18.393000Z",
"spacegroup": 187
},
{
"id": "mp-1216519",
"created_at": "2022-09-04T14:48:26.470862Z",
"structure_string": "Tl1 Hg1\n1.0\n5.872553 -1.727203 0.000000\n5.872553 1.727203 0.000000\n5.364557 0.000000 2.948158\nTl Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"Hg"
],
"chemical_system": "Hg-Tl",
"density": 11.244092489730491,
"density_atomic": 0.03344097386914951,
"volume": 59.80687069179739,
"volume_molar": 18.008269686056124,
"formula_full": "Tl1 Hg1",
"formula_reduced": "TlHg",
"formula_anonymous": "AB",
"energy": -2.6404224,
"energy_per_atom": -1.3202112,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.6404224,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0066319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:36.633000Z",
"spacegroup": 166
},
{
"id": "mp-1009213",
"created_at": "2022-09-04T14:48:27.369586Z",
"structure_string": "Mn1 Sb1\n1.0\n0.000000 3.093205 3.093205\n3.093205 0.000000 3.093205\n3.093205 3.093205 0.000000\nMn Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb",
"density": 4.957066392928498,
"density_atomic": 0.03378888723437449,
"volume": 59.191058472187194,
"volume_molar": 17.822844292645094,
"formula_full": "Mn1 Sb1",
"formula_reduced": "MnSb",
"formula_anonymous": "AB",
"energy": -12.63837458,
"energy_per_atom": -6.31918729,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.44637458,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0055011,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:23.857000Z",
"spacegroup": 216
},
{
"id": "mp-1224314",
"created_at": "2022-09-04T14:48:21.904435Z",
"structure_string": "Hf1 Mo1\n1.0\n1.671203 -2.472467 0.000000\n1.671204 2.472467 0.000000\n0.000000 0.000000 4.447011\nHf Mo\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Mo\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Mo"
],
"chemical_system": "Hf-Mo",
"density": 12.400027359926678,
"density_atomic": 0.054421681459851774,
"volume": 36.75005891678392,
"volume_molar": 11.065701386758294,
"formula_full": "Hf1 Mo1",
"formula_reduced": "HfMo",
"formula_anonymous": "AB",
"energy": -20.66236651,
"energy_per_atom": -10.331183255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.66236651,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003187,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:36.396000Z",
"spacegroup": 65
},
{
"id": "mp-1219500",
"created_at": "2022-09-04T14:48:24.400869Z",
"structure_string": "Re1 Pt1\n1.0\n1.397178 -2.419983 0.000000\n1.397178 2.419983 0.000000\n0.000000 0.000000 4.501147\nRe Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.333333 0.666667 0.500000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Re",
"Pt"
],
"chemical_system": "Pt-Re",
"density": 20.801200773676452,
"density_atomic": 0.06570716805767267,
"volume": 30.438079423002293,
"volume_molar": 9.16511993746897,
"formula_full": "Re1 Pt1",
"formula_reduced": "RePt",
"formula_anonymous": "AB",
"energy": -18.52324973,
"energy_per_atom": -9.261624865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.52324973,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000621,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:32.181000Z",
"spacegroup": 187
},
{
"id": "mp-11249",
"created_at": "2022-09-04T14:48:22.087549Z",
"structure_string": "Lu1 Au1\n1.0\n3.533740 0.000000 0.000000\n0.000000 3.533740 0.000000\n0.000000 0.000000 3.533740\nLu Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Lu",
"Au"
],
"chemical_system": "Au-Lu",
"density": 13.996217974443358,
"density_atomic": 0.04532378994748271,
"volume": 44.126936478997614,
"volume_molar": 13.286931139205121,
"formula_full": "Lu1 Au1",
"formula_reduced": "LuAu",
"formula_anonymous": "AB",
"energy": -9.60388046,
"energy_per_atom": -4.80194023,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.60388046,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.9e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:02.699000Z",
"spacegroup": 221
},
{
"id": "mp-1226166",
"created_at": "2022-09-04T14:48:24.590478Z",
"structure_string": "Cr1 Pd1\n1.0\n4.450122 -1.339164 0.000000\n4.450122 1.339164 0.000000\n4.047131 0.000000 2.284224\nCr Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"Pd"
],
"chemical_system": "Cr-Pd",
"density": 9.662156011264067,
"density_atomic": 0.07346079541791585,
"volume": 27.225406267684296,
"volume_molar": 8.197761439609053,
"formula_full": "Cr1 Pd1",
"formula_reduced": "CrPd",
"formula_anonymous": "AB",
"energy": -14.30496941,
"energy_per_atom": -7.152484705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.30496941,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8113206,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:31.499000Z",
"spacegroup": 166
},
{
"id": "mp-15694",
"created_at": "2022-09-04T14:48:20.728862Z",
"structure_string": "Pa1 As1\n1.0\n0.000000 2.898203 2.898203\n2.898203 0.000000 2.898203\n2.898203 2.898203 0.000000\nPa As\n1 1\ndirect\n0.500000 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pa",
"As"
],
"chemical_system": "As-Pa",
"density": 10.435031683468273,
"density_atomic": 0.04107840713985635,
"volume": 48.68737955663082,
"volume_molar": 14.660112646278861,
"formula_full": "Pa1 As1",
"formula_reduced": "PaAs",
"formula_anonymous": "AB",
"energy": -16.26651113,
"energy_per_atom": -8.133255565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.26651113,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.023808,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:02.917000Z",
"spacegroup": 225
},
{
"id": "mp-2502",
"created_at": "2022-09-04T14:48:21.963998Z",
"structure_string": "Tm1 Cd1\n1.0\n3.703012 0.000000 0.000000\n0.000000 3.703012 0.000000\n0.000000 0.000000 3.703012\nTm Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tm",
"Cd"
],
"chemical_system": "Cd-Tm",
"density": 9.200750728213755,
"density_atomic": 0.039388064223395615,
"volume": 50.776803568123704,
"volume_molar": 15.28925292150556,
"formula_full": "Tm1 Cd1",
"formula_reduced": "TmCd",
"formula_anonymous": "AB",
"energy": -6.02569867,
"energy_per_atom": -3.012849335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.02569867,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004263,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:24.898000Z",
"spacegroup": 221
},
{
"id": "mp-1186405",
"created_at": "2022-09-04T14:48:24.375758Z",
"structure_string": "Pa1 Ni1\n1.0\n3.741313 -1.800058 0.000000\n3.741313 1.800058 0.000000\n2.875252 0.000000 2.995090\nPa Ni\n1 1\ndirect\n0.500000 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pa",
"Ni"
],
"chemical_system": "Ni-Pa",
"density": 11.925897435746986,
"density_atomic": 0.049576924411789285,
"volume": 40.34134879743376,
"volume_molar": 12.147064045320143,
"formula_full": "Pa1 Ni1",
"formula_reduced": "PaNi",
"formula_anonymous": "AB",
"energy": -15.47903426,
"energy_per_atom": -7.73951713,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.47903426,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2887613,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:19.290000Z",
"spacegroup": 166
}
]
}