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=92",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=90",
"results": [
{
"id": "mp-79",
"created_at": "2022-09-04T14:40:23.632045Z",
"structure_string": "Zn2\n1.0\n1.313365 -2.274816 0.000000\n1.313365 2.274816 0.000000\n0.000000 0.000000 5.207234\nZn\n2\ndirect\n0.333333 0.666667 0.250000 Zn\n0.666667 0.333333 0.750000 Zn\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Zn"
],
"chemical_system": "Zn",
"density": 6.981484851061407,
"density_atomic": 0.06427782797692787,
"volume": 31.114928163376767,
"volume_molar": 9.36892385685716,
"formula_full": "Zn2",
"formula_reduced": "Zn",
"formula_anonymous": "A",
"energy": -2.51948722,
"energy_per_atom": -1.25974361,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.51948722,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006365,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.321000Z",
"spacegroup": 194
},
{
"id": "mp-1224803",
"created_at": "2022-09-04T14:40:23.481337Z",
"structure_string": "Fe1 Ru1\n1.0\n1.321401 -2.288733 0.000000\n1.321401 2.288733 0.000000\n0.000000 0.000000 4.070227\nFe Ru\n1 1\ndirect\n0.333333 0.666667 0.500000 Fe\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Fe",
"Ru"
],
"chemical_system": "Fe-Ru",
"density": 10.583642690972527,
"density_atomic": 0.08123657529313018,
"volume": 24.619452417624643,
"volume_molar": 7.413090394652896,
"formula_full": "Fe1 Ru1",
"formula_reduced": "FeRu",
"formula_anonymous": "AB",
"energy": -17.48777076,
"energy_per_atom": -8.74388538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.48777076,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006063,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.961000Z",
"spacegroup": 187
},
{
"id": "mp-1018029",
"created_at": "2022-09-04T14:40:23.719614Z",
"structure_string": "Cu1 Pd1\n1.0\n3.018131 0.000000 0.000000\n0.000000 3.018131 0.000000\n0.000000 0.000000 3.018131\nCu Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"Pd"
],
"chemical_system": "Cu-Pd",
"density": 10.265896771562437,
"density_atomic": 0.07274710872450155,
"volume": 27.492501558709936,
"volume_molar": 8.278185711553531,
"formula_full": "Cu1 Pd1",
"formula_reduced": "CuPd",
"formula_anonymous": "AB",
"energy": -9.52528325,
"energy_per_atom": -4.762641625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.52528325,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012978,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.361000Z",
"spacegroup": 221
},
{
"id": "mp-1217474",
"created_at": "2022-09-04T14:43:08.307796Z",
"structure_string": "Tb1 Th1\n1.0\n5.916461 -1.777096 0.000000\n5.916461 1.777096 0.000000\n5.382685 0.000000 3.031384\nTb Th\n1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Th\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tb",
"Th"
],
"chemical_system": "Tb-Th",
"density": 10.18453878298646,
"density_atomic": 0.03137517454537182,
"volume": 63.744665296054,
"volume_molar": 19.193967355596214,
"formula_full": "Tb1 Th1",
"formula_reduced": "TbTh",
"formula_anonymous": "AB",
"energy": -11.9978855,
"energy_per_atom": -5.99894275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.9978855,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012208,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.242000Z",
"spacegroup": 166
},
{
"id": "mp-722819",
"created_at": "2022-09-04T14:40:24.594051Z",
"structure_string": "K1 C1\n1.0\n0.000000 3.092474 3.092474\n3.092474 0.000000 3.092474\n3.092474 3.092474 0.000000\nK C\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"C"
],
"chemical_system": "C-K",
"density": 1.4348229495835734,
"density_atomic": 0.0338128539828864,
"volume": 59.14910350401815,
"volume_molar": 17.810211356450328,
"formula_full": "K1 C1",
"formula_reduced": "KC",
"formula_anonymous": "AB",
"energy": -5.70472976,
"energy_per_atom": -2.85236488,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.70472976,
"band_gap": 0.5945,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0010171,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.335000Z",
"spacegroup": 225
},
{
"id": "mp-1226002",
"created_at": "2022-09-04T14:45:53.007619Z",
"structure_string": "Co1 Mo1\n1.0\n1.347464 -2.333876 0.000000\n1.347464 2.333876 0.000000\n0.000000 0.000000 4.183618\nCo Mo\n1 1\ndirect\n0.666667 0.333333 0.500000 Co\n0.333333 0.666667 0.000000 Mo\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Co",
"Mo"
],
"chemical_system": "Co-Mo",
"density": 9.773461076493708,
"density_atomic": 0.07600690143360962,
"volume": 26.313399997590437,
"volume_molar": 7.923149932983665,
"formula_full": "Co1 Mo1",
"formula_reduced": "CoMo",
"formula_anonymous": "AB",
"energy": -17.54453254,
"energy_per_atom": -8.77226627,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.54453254,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3620178,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.092000Z",
"spacegroup": 187
},
{
"id": "mp-11484",
"created_at": "2022-09-04T14:40:31.311680Z",
"structure_string": "Zr1 Ir1\n1.0\n3.317330 0.000000 0.000000\n0.000000 3.317330 0.000000\n0.000000 0.000000 3.317330\nZr Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 12.892755309407919,
"density_atomic": 0.05478529026098782,
"volume": 36.50614956080984,
"volume_molar": 10.992258563040453,
"formula_full": "Zr1 Ir1",
"formula_reduced": "ZrIr",
"formula_anonymous": "AB",
"energy": -18.94884495,
"energy_per_atom": -9.474422475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.94884495,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020351,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.543000Z",
"spacegroup": 221
},
{
"id": "mp-1009485",
"created_at": "2022-09-04T14:43:07.661513Z",
"structure_string": "Cr1 N1\n1.0\n2.521433 0.000000 0.000000\n0.000000 2.521433 0.000000\n0.000000 0.000000 2.521433\nCr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 6.83705635704891,
"density_atomic": 0.12476354269949189,
"volume": 16.03032389691949,
"volume_molar": 4.826843346782045,
"formula_full": "Cr1 N1",
"formula_reduced": "CrN",
"formula_anonymous": "AB",
"energy": -18.01500831,
"energy_per_atom": -9.007504155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.65400831,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9295422,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.576000Z",
"spacegroup": 221
},
{
"id": "mp-1059707",
"created_at": "2022-09-04T14:40:33.687575Z",
"structure_string": "Ca1 Ni1\n1.0\n3.426381 0.000000 0.000000\n0.000000 3.426381 0.000000\n0.000000 0.000000 3.426381\nCa Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Ni"
],
"chemical_system": "Ca-Ni",
"density": 4.0773063879495615,
"density_atomic": 0.04971907454660925,
"volume": 40.226010203088066,
"volume_molar": 12.112334782809627,
"formula_full": "Ca1 Ni1",
"formula_reduced": "CaNi",
"formula_anonymous": "AB",
"energy": -7.73813855,
"energy_per_atom": -3.869069275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.73813855,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030855,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:07.535000Z",
"spacegroup": 221
},
{
"id": "mp-32880",
"created_at": "2022-09-04T14:40:33.966108Z",
"structure_string": "Cu1 Br1\n1.0\n-2.047538 2.047538 2.766344\n2.047538 -2.047538 2.766344\n2.047538 2.047538 -2.766344\nCu Br\n1 1\ndirect\n0.250000 0.750000 0.500000 Cu\n0.000000 0.000000 0.000000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"Br"
],
"chemical_system": "Br-Cu",
"density": 5.134752715060553,
"density_atomic": 0.043112169576260545,
"volume": 46.39061359373776,
"volume_molar": 13.968540250212913,
"formula_full": "Cu1 Br1",
"formula_reduced": "CuBr",
"formula_anonymous": "AB",
"energy": -6.769294009999999,
"energy_per_atom": -3.3846470049999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.23529401,
"band_gap": 0.4449000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001354,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.362000Z",
"spacegroup": 119
},
{
"id": "mp-1009832",
"created_at": "2022-09-04T14:43:01.261499Z",
"structure_string": "Ta1 C1\n1.0\n0.000000 2.419287 2.419287\n2.419287 0.000000 2.419287\n2.419287 2.419287 0.000000\nTa C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"C"
],
"chemical_system": "C-Ta",
"density": 11.314126260265345,
"density_atomic": 0.07062164422984082,
"volume": 28.319929701592955,
"volume_molar": 8.527330148814878,
"formula_full": "Ta1 C1",
"formula_reduced": "TaC",
"formula_anonymous": "AB",
"energy": -21.20051115,
"energy_per_atom": -10.600255575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.20051115,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006839,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.988000Z",
"spacegroup": 216
},
{
"id": "mp-1220318",
"created_at": "2022-09-04T14:42:55.231918Z",
"structure_string": "Nb1 H1\n1.0\n-1.606964 1.606964 -1.984301\n1.606964 -1.606964 -1.984301\n-1.606964 -1.606964 -1.984301\nNb H\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.000000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"H"
],
"chemical_system": "H-Nb",
"density": 7.608535617205704,
"density_atomic": 0.09757760580094821,
"volume": 20.496506176631,
"volume_molar": 6.171642264194066,
"formula_full": "Nb1 H1",
"formula_reduced": "NbH",
"formula_anonymous": "AB",
"energy": -13.89652201,
"energy_per_atom": -6.948261005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.71752201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008384,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.719000Z",
"spacegroup": 139
}
]
}