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=56",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=54",
"results": [
{
"id": "mp-1009019",
"created_at": "2022-09-04T14:46:17.598615Z",
"structure_string": "Fe1 N1\n1.0\n2.564582 0.000000 0.000000\n0.000000 2.564582 0.000000\n0.000000 0.000000 2.564582\nFe N\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Fe",
"N"
],
"chemical_system": "Fe-N",
"density": 6.876640303549916,
"density_atomic": 0.1185714760791158,
"volume": 16.86746312127815,
"volume_molar": 5.078911859022298,
"formula_full": "Fe1 N1",
"formula_reduced": "FeN",
"formula_anonymous": "AB",
"energy": -15.70301188,
"energy_per_atom": -7.85150594,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.34201188,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6613935,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.978000Z",
"spacegroup": 221
},
{
"id": "mp-1224769",
"created_at": "2022-09-04T14:42:23.113056Z",
"structure_string": "Ga1 Ge1\n1.0\n0.000000 2.897844 2.897844\n2.897844 0.000000 2.897844\n2.897844 2.897844 0.000000\nGa Ge\n1 1\ndirect\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ga",
"Ge"
],
"chemical_system": "Ga-Ge",
"density": 4.857258601985723,
"density_atomic": 0.041093676052046384,
"volume": 48.66928910100278,
"volume_molar": 14.654665482768632,
"formula_full": "Ga1 Ge1",
"formula_reduced": "GaGe",
"formula_anonymous": "AB",
"energy": -7.3258142,
"energy_per_atom": -3.6629071,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.3258142,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0042421,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.824000Z",
"spacegroup": 216
},
{
"id": "mp-436",
"created_at": "2022-09-04T14:48:23.895445Z",
"structure_string": "Sm1 Rh1\n1.0\n3.505289 0.000000 0.000000\n0.000000 3.505289 0.000000\n0.000000 0.000000 3.505289\nSm Rh\n1 1\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sm",
"Rh"
],
"chemical_system": "Rh-Sm",
"density": 9.764581653543871,
"density_atomic": 0.046436395956398355,
"volume": 43.06966461992245,
"volume_molar": 12.968579141358246,
"formula_full": "Sm1 Rh1",
"formula_reduced": "SmRh",
"formula_anonymous": "AB",
"energy": -13.53948857,
"energy_per_atom": -6.769744285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.53948857,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001797,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:55.065000Z",
"spacegroup": 221
},
{
"id": "mp-1797",
"created_at": "2022-09-04T14:47:28.635319Z",
"structure_string": "Mn1 Ni1\n1.0\n2.948657 0.000000 0.000000\n0.000000 2.948657 0.000000\n0.000000 0.000000 2.844698\nMn Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Ni"
],
"chemical_system": "Mn-Ni",
"density": 7.628917991055061,
"density_atomic": 0.08086215572548024,
"volume": 24.7334489422941,
"volume_molar": 7.44741555053841,
"formula_full": "Mn1 Ni1",
"formula_reduced": "MnNi",
"formula_anonymous": "AB",
"energy": -15.0225095,
"energy_per_atom": -7.51125475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.0225095,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.3657971,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:11.529000Z",
"spacegroup": 123
},
{
"id": "mp-1094850",
"created_at": "2022-09-04T14:42:20.499171Z",
"structure_string": "Mg1 Ga1\n1.0\n1.569364 -2.718217 0.000000\n1.569364 2.718217 0.000000\n0.000000 0.000000 4.687775\nMg Ga\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.500000 Ga\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 3.9039273904375964,
"density_atomic": 0.050006381652612494,
"volume": 39.99489532943469,
"volume_molar": 12.042744467766115,
"formula_full": "Mg1 Ga1",
"formula_reduced": "MgGa",
"formula_anonymous": "AB",
"energy": -4.81537694,
"energy_per_atom": -2.40768847,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.81537694,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031728,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.115000Z",
"spacegroup": 187
},
{
"id": "mp-1529",
"created_at": "2022-09-04T14:42:20.972564Z",
"structure_string": "Lu1 Ir1\n1.0\n3.355690 0.000000 0.000000\n0.000000 3.355690 0.000000\n0.000000 0.000000 3.355690\nLu Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Lu",
"Ir"
],
"chemical_system": "Ir-Lu",
"density": 16.135682693952617,
"density_atomic": 0.052927879469290055,
"volume": 37.787268639025015,
"volume_molar": 11.378012534007114,
"formula_full": "Lu1 Ir1",
"formula_reduced": "LuIr",
"formula_anonymous": "AB",
"energy": -15.38350126,
"energy_per_atom": -7.69175063,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.38350126,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001313,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.295000Z",
"spacegroup": 221
},
{
"id": "mp-364",
"created_at": "2022-09-04T14:42:15.887068Z",
"structure_string": "Al1 Rh1\n1.0\n3.006726 0.000000 0.000000\n0.000000 3.006726 0.000000\n0.000000 0.000000 3.006726\nAl Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"Rh"
],
"chemical_system": "Al-Rh",
"density": 7.9347519244194435,
"density_atomic": 0.07357807756046253,
"volume": 27.182009455962028,
"volume_molar": 8.184694354172716,
"formula_full": "Al1 Rh1",
"formula_reduced": "AlRh",
"formula_anonymous": "AB",
"energy": -13.28782749,
"energy_per_atom": -6.643913745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.28782749,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011895,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.844000Z",
"spacegroup": 221
},
{
"id": "mp-11258",
"created_at": "2022-09-04T14:42:15.345424Z",
"structure_string": "Tb1 Au1\n1.0\n3.622075 0.000000 0.000000\n0.000000 3.622075 0.000000\n0.000000 0.000000 3.622075\nTb Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tb",
"Au"
],
"chemical_system": "Au-Tb",
"density": 12.43640647354035,
"density_atomic": 0.042087940950475404,
"volume": 47.519549658021674,
"volume_molar": 14.30847084462082,
"formula_full": "Tb1 Au1",
"formula_reduced": "TbAu",
"formula_anonymous": "AB",
"energy": -9.61636713,
"energy_per_atom": -4.808183565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.61636713,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002406,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.147000Z",
"spacegroup": 221
},
{
"id": "mp-1215265",
"created_at": "2022-09-04T14:42:16.015463Z",
"structure_string": "Zr1 In1\n1.0\n5.206109 -1.618300 0.000000\n5.206109 1.618300 0.000000\n4.703067 0.000000 2.757469\nZr In\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"In"
],
"chemical_system": "In-Zr",
"density": 7.3636295032935015,
"density_atomic": 0.043044440831138286,
"volume": 46.46360741090643,
"volume_molar": 13.990519202292884,
"formula_full": "Zr1 In1",
"formula_reduced": "ZrIn",
"formula_anonymous": "AB",
"energy": -11.62159777,
"energy_per_atom": -5.810798885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.62159777,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004085,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.311000Z",
"spacegroup": 166
},
{
"id": "mp-23295",
"created_at": "2022-09-04T14:42:15.981254Z",
"structure_string": "Rb1 Cl1\n1.0\n0.000000 3.349364 3.349364\n3.349364 0.000000 3.349364\n3.349364 3.349364 0.000000\nRb Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Cl"
],
"chemical_system": "Cl-Rb",
"density": 2.671979177096913,
"density_atomic": 0.026614171784882828,
"volume": 75.14793306985507,
"volume_molar": 22.627571538486308,
"formula_full": "Rb1 Cl1",
"formula_reduced": "RbCl",
"formula_anonymous": "AB",
"energy": -7.31881161,
"energy_per_atom": -3.659405805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.70481161,
"band_gap": 4.8388,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003388,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.993000Z",
"spacegroup": 225
},
{
"id": "mp-1006884",
"created_at": "2022-09-04T14:48:17.458557Z",
"structure_string": "Co1 Mo1\n1.0\n2.999744 0.000000 0.000000\n0.000000 2.999744 0.000000\n0.000000 0.000000 2.999744\nCo Mo\n1 1\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Co",
"Mo"
],
"chemical_system": "Co-Mo",
"density": 9.52736437740474,
"density_atomic": 0.07409304027384304,
"volume": 26.99308858980723,
"volume_molar": 8.12780895174845,
"formula_full": "Co1 Mo1",
"formula_reduced": "CoMo",
"formula_anonymous": "AB",
"energy": -17.44200928,
"energy_per_atom": -8.72100464,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.44200928,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1027041,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:46.770000Z",
"spacegroup": 221
},
{
"id": "mp-11540",
"created_at": "2022-09-04T14:48:17.759758Z",
"structure_string": "Pt1 O1\n1.0\n0.000000 2.312868 2.312868\n2.312868 0.000000 2.312868\n2.312868 2.312868 0.000000\nPt O\n1 1\ndirect\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pt",
"O"
],
"chemical_system": "O-Pt",
"density": 14.165132473587617,
"density_atomic": 0.08082532465316647,
"volume": 24.74471966035767,
"volume_molar": 7.450809243070665,
"formula_full": "Pt1 O1",
"formula_reduced": "PtO",
"formula_anonymous": "AB",
"energy": -10.60711574,
"energy_per_atom": -5.30355787,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.92011574,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006556,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:53.949000Z",
"spacegroup": 225
}
]
}