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=-id&page=12166",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=12164",
"results": [
{
"id": "mp-1007906",
"created_at": "2022-09-04T14:45:27.812125Z",
"structure_string": "Er2 H2\n1.0\n1.803261 -3.123340 0.000000\n1.803261 3.123340 0.000000\n0.000000 0.000000 5.354500\nEr H\n2 2\ndirect\n0.333333 0.666667 0.250000 Er\n0.666667 0.333333 0.750000 Er\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Er",
"H"
],
"chemical_system": "Er-H",
"density": 9.265121487212706,
"density_atomic": 0.06631827472916228,
"volume": 60.315199940523655,
"volume_molar": 9.080665600234427,
"formula_full": "Er2 H2",
"formula_reduced": "ErH",
"formula_anonymous": "AB",
"energy": -17.6630478,
"energy_per_atom": -4.41576195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.3050478,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.19e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.535000Z",
"spacegroup": 194
},
{
"id": "mp-1007900",
"created_at": "2022-09-04T14:47:56.879573Z",
"structure_string": "Eu1 Tl1 S2\n1.0\n7.434438 -2.095994 0.000000\n7.434438 2.095994 0.000000\n6.843514 0.000000 3.581953\nEu Tl S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Tl\n0.735942 0.735942 0.735942 S\n0.264058 0.264058 0.264058 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Eu",
"Tl",
"S"
],
"chemical_system": "Eu-S-Tl",
"density": 6.254658385118582,
"density_atomic": 0.035832072945593124,
"volume": 111.63183347146952,
"volume_molar": 16.806565361551723,
"formula_full": "Eu1 Tl1 S2",
"formula_reduced": "EuTlS2",
"formula_anonymous": "ABC2",
"energy": -26.64725811,
"energy_per_atom": -6.6618145275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.64125811,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0854932,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:20.636000Z",
"spacegroup": 166
},
{
"id": "mp-10079",
"created_at": "2022-09-04T14:46:24.811436Z",
"structure_string": "Tb3 Ag3 Ge3\n1.0\n3.691086 -6.393149 0.000000\n3.691086 6.393149 0.000000\n0.000000 0.000000 4.144721\nTb Ag Ge\n3 3 3\ndirect\n0.000000 0.603755 0.000000 Tb\n0.396245 0.396245 0.000000 Tb\n0.603755 0.000000 0.000000 Tb\n0.666667 0.333333 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.333333 0.666667 0.500000 Ag\n0.732533 0.732533 0.500000 Ge\n0.267467 0.000000 0.500000 Ge\n0.000000 0.267467 0.500000 Ge\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tb",
"Ag",
"Ge"
],
"chemical_system": "Ag-Ge-Tb",
"density": 8.64431990825617,
"density_atomic": 0.04600957502283922,
"volume": 195.6114568659325,
"volume_molar": 13.088885861281266,
"formula_full": "Tb3 Ag3 Ge3",
"formula_reduced": "TbAgGe",
"formula_anonymous": "ABC",
"energy": -40.03437214,
"energy_per_atom": -4.448263571111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.03437214,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008113,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:31.905000Z",
"spacegroup": 189
},
{
"id": "mp-1007881",
"created_at": "2022-09-04T14:48:11.164328Z",
"structure_string": "Fe2 B2\n1.0\n1.445942 -3.753606 0.000000\n1.445942 3.753606 0.000000\n0.000000 0.000000 2.958077\nFe B\n2 2\ndirect\n0.858486 0.141514 0.750000 Fe\n0.141514 0.858486 0.250000 Fe\n0.569795 0.430205 0.750000 B\n0.430205 0.569795 0.250000 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"B"
],
"chemical_system": "B-Fe",
"density": 6.894127542086433,
"density_atomic": 0.1245721510147169,
"volume": 32.109905523967726,
"volume_molar": 4.83425927139088,
"formula_full": "Fe2 B2",
"formula_reduced": "FeB",
"formula_anonymous": "AB",
"energy": -31.79276175,
"energy_per_atom": -7.9481904375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.79276175,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5452654,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:32.018000Z",
"spacegroup": 63
},
{
"id": "mp-1007862",
"created_at": "2022-09-04T14:39:34.978557Z",
"structure_string": "Fe3 Ni1\n1.0\n-1.763706 1.763706 3.730619\n1.763706 -1.763706 3.730619\n1.763706 1.763706 -3.730619\nFe Ni\n3 1\ndirect\n0.500000 0.500000 0.000000 Fe\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Ni"
],
"chemical_system": "Fe-Ni",
"density": 8.092877146430878,
"density_atomic": 0.08617210809259343,
"volume": 46.4187320995087,
"volume_molar": 6.988503465099294,
"formula_full": "Fe3 Ni1",
"formula_reduced": "Fe3Ni",
"formula_anonymous": "AB3",
"energy": -31.01914287,
"energy_per_atom": -7.7547857175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.01914287,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.1735649,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.047000Z",
"spacegroup": 139
},
{
"id": "mp-1007857",
"created_at": "2022-09-04T14:39:23.375450Z",
"structure_string": "Ga4\n1.0\n2.058439 -2.331066 0.000000\n2.058439 2.331066 0.000000\n0.000000 0.000000 7.921188\nGa\n4\ndirect\n0.218668 0.781332 0.126871 Ga\n0.781332 0.218668 0.873129 Ga\n0.281332 0.718668 0.626871 Ga\n0.718668 0.281332 0.373129 Ga\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ga"
],
"chemical_system": "Ga",
"density": 6.092173540777604,
"density_atomic": 0.05261954679171708,
"volume": 76.0173784056545,
"volume_molar": 11.444683824125894,
"formula_full": "Ga4",
"formula_reduced": "Ga",
"formula_anonymous": "A",
"energy": -12.05081059,
"energy_per_atom": -3.0127026475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.05081059,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000195,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.125000Z",
"spacegroup": 64
},
{
"id": "mp-1007855",
"created_at": "2022-09-04T14:39:19.575827Z",
"structure_string": "Fe1 Ni3\n1.0\n-1.766979 1.766979 3.539592\n1.766979 -1.766979 3.539592\n1.766979 1.766979 -3.539592\nFe Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Ni\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Ni"
],
"chemical_system": "Fe-Ni",
"density": 8.712064155440634,
"density_atomic": 0.09048654768407212,
"volume": 44.20546592147309,
"volume_molar": 6.655288453512353,
"formula_full": "Fe1 Ni3",
"formula_reduced": "FeNi3",
"formula_anonymous": "AB3",
"energy": -26.10133858,
"energy_per_atom": -6.525334645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.10133858,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.4393089,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.950000Z",
"spacegroup": 139
},
{
"id": "mp-1007854",
"created_at": "2022-09-04T14:43:23.655383Z",
"structure_string": "Fe1 Ni3\n1.0\n0.000000 2.815224 2.815224\n2.815224 0.000000 2.815224\n2.815224 2.815224 0.000000\nFe Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ni\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Ni"
],
"chemical_system": "Fe-Ni",
"density": 8.630345313790913,
"density_atomic": 0.08963778719176022,
"volume": 44.624037755895124,
"volume_molar": 6.718305916138874,
"formula_full": "Fe1 Ni3",
"formula_reduced": "FeNi3",
"formula_anonymous": "AB3",
"energy": -25.73581376,
"energy_per_atom": -6.43395344,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.73581376,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.3420855,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.281000Z",
"spacegroup": 225
},
{
"id": "mp-1007853",
"created_at": "2022-09-04T14:44:10.049101Z",
"structure_string": "Fe3 Ni1\n1.0\n0.000000 2.852709 2.852709\n2.852709 0.000000 2.852709\n2.852709 2.852709 0.000000\nFe Ni\n3 1\ndirect\n0.750000 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Ni"
],
"chemical_system": "Fe-Ni",
"density": 8.090843652601452,
"density_atomic": 0.08615045566331464,
"volume": 46.43039864620607,
"volume_molar": 6.99025990475916,
"formula_full": "Fe3 Ni1",
"formula_reduced": "Fe3Ni",
"formula_anonymous": "AB3",
"energy": -31.08822882,
"energy_per_atom": -7.772057205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.08822882,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.5136151,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.735000Z",
"spacegroup": 225
},
{
"id": "mp-1007852",
"created_at": "2022-09-04T14:47:12.977443Z",
"structure_string": "Fe1 Co3\n1.0\n3.541812 0.000000 0.000000\n0.000000 3.541812 0.000000\n0.000000 0.000000 3.541812\nFe Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Co"
],
"chemical_system": "Co-Fe",
"density": 8.694918803786157,
"density_atomic": 0.09002921766052069,
"volume": 44.430020652662705,
"volume_molar": 6.6890959585010465,
"formula_full": "Fe1 Co3",
"formula_reduced": "FeCo3",
"formula_anonymous": "AB3",
"energy": -29.75451909,
"energy_per_atom": -7.4386297725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.75451909,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.3169867,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.898000Z",
"spacegroup": 221
},
{
"id": "mp-1007824",
"created_at": "2022-09-04T14:44:02.132042Z",
"structure_string": "Ga2 N2\n1.0\n1.602217 -2.775120 0.000000\n1.602217 2.775120 0.000000\n0.000000 0.000000 8.474509\nGa N\n2 2\ndirect\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n0.000000 0.000000 0.250000 N\n0.000000 0.000000 0.750000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"N"
],
"chemical_system": "Ga-N",
"density": 3.6898693122383217,
"density_atomic": 0.05307773082187715,
"volume": 75.36117196538689,
"volume_molar": 11.34588963535314,
"formula_full": "Ga2 N2",
"formula_reduced": "GaN",
"formula_anonymous": "AB",
"energy": -23.94222534,
"energy_per_atom": -5.985556335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.22022534,
"band_gap": 0.9819,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002779,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.509000Z",
"spacegroup": 194
},
{
"id": "mp-1007823",
"created_at": "2022-09-04T14:41:36.139773Z",
"structure_string": "Ga1 B1 N2\n1.0\n2.837200 0.000000 0.000000\n0.000000 2.837200 0.000000\n0.000000 0.000000 4.249387\nGa B N\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 B\n0.500000 0.000000 0.801617 N\n0.000000 0.500000 0.198383 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"B",
"N"
],
"chemical_system": "B-Ga-N",
"density": 5.269414177336419,
"density_atomic": 0.11693749978212585,
"volume": 34.20630685154608,
"volume_molar": 5.149879868494073,
"formula_full": "Ga1 B1 N2",
"formula_reduced": "GaBN2",
"formula_anonymous": "ABC2",
"energy": -29.07941619,
"energy_per_atom": -7.2698540475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.35741619,
"band_gap": 3.1499000000000006,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003231,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.058000Z",
"spacegroup": 115
}
]
}