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=78",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=76",
"results": [
{
"id": "mp-20745",
"created_at": "2022-09-04T14:44:28.526537Z",
"structure_string": "Pb2\n1.0\n1.774194 -3.072994 0.000000\n1.774194 3.072994 0.000000\n0.000000 0.000000 5.841275\nPb\n2\ndirect\n0.333333 0.666667 0.250000 Pb\n0.666667 0.333333 0.750000 Pb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Pb"
],
"chemical_system": "Pb",
"density": 10.803597041477024,
"density_atomic": 0.03139999137093524,
"volume": 63.69428501981242,
"volume_molar": 19.17879749984349,
"formula_full": "Pb2",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"energy": -7.3967515,
"energy_per_atom": -3.69837575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.3967515,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0061659,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:41.518000Z",
"spacegroup": 194
},
{
"id": "mp-1216",
"created_at": "2022-09-04T14:44:59.973139Z",
"structure_string": "Yb1 O1\n1.0\n0.000000 2.374530 2.374530\n2.374530 0.000000 2.374530\n2.374530 2.374530 0.000000\nYb O\n1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"O"
],
"chemical_system": "O-Yb",
"density": 11.722991481629752,
"density_atomic": 0.07469078388426148,
"volume": 26.777065335117353,
"volume_molar": 8.062762829389664,
"formula_full": "Yb1 O1",
"formula_reduced": "YbO",
"formula_anonymous": "AB",
"energy": -13.74699528,
"energy_per_atom": -6.87349764,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.05999528,
"band_gap": 3.4606000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000266,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:44.082000Z",
"spacegroup": 225
},
{
"id": "mp-1094336",
"created_at": "2022-09-04T14:44:16.222527Z",
"structure_string": "Sr1 Mg1\n1.0\n0.000000 3.924116 3.924116\n3.924116 0.000000 3.924116\n3.924116 3.924116 0.000000\nSr Mg\n1 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 1.537873784960668,
"density_atomic": 0.016549104145360944,
"volume": 120.8524632169072,
"volume_molar": 36.38952723424688,
"formula_full": "Sr1 Mg1",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -1.900486,
"energy_per_atom": -0.950243,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.900486,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2148265,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.928000Z",
"spacegroup": 216
},
{
"id": "mp-10628",
"created_at": "2022-09-04T14:44:13.918592Z",
"structure_string": "Ta1 S1\n1.0\n1.640445 -2.841334 0.000000\n1.640445 2.841334 0.000000\n0.000000 0.000000 3.332707\nTa S\n1 1\ndirect\n0.666667 0.333333 0.000000 Ta\n0.000000 0.000000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"S"
],
"chemical_system": "S-Ta",
"density": 11.385284042141908,
"density_atomic": 0.06437524634008472,
"volume": 31.067842279535547,
"volume_molar": 9.354745965842117,
"formula_full": "Ta1 S1",
"formula_reduced": "TaS",
"formula_anonymous": "AB",
"energy": -17.84092865,
"energy_per_atom": -8.920464325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.33792865,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001694,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.331000Z",
"spacegroup": 187
},
{
"id": "mp-23259",
"created_at": "2022-09-04T14:44:15.640718Z",
"structure_string": "Li1 Br1\n1.0\n0.000000 2.756714 2.756714\n2.756714 0.000000 2.756714\n2.756714 2.756714 0.000000\nLi Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"Br"
],
"chemical_system": "Br-Li",
"density": 3.4418250082704427,
"density_atomic": 0.047733674197145796,
"volume": 41.89914213893865,
"volume_molar": 12.616126584196802,
"formula_full": "Li1 Br1",
"formula_reduced": "LiBr",
"formula_anonymous": "AB",
"energy": -7.16665295,
"energy_per_atom": -3.583326475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.63265295,
"band_gap": 5.025600000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004327,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:35.784000Z",
"spacegroup": 225
},
{
"id": "mp-30746",
"created_at": "2022-09-04T14:44:13.043536Z",
"structure_string": "Y1 Ir1\n1.0\n3.438202 0.000000 0.000000\n0.000000 3.438202 0.000000\n0.000000 0.000000 3.438202\nY Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Ir"
],
"chemical_system": "Ir-Y",
"density": 11.485531008146856,
"density_atomic": 0.049208013121884525,
"volume": 40.64378691832469,
"volume_molar": 12.238130292079894,
"formula_full": "Y1 Ir1",
"formula_reduced": "YIr",
"formula_anonymous": "AB",
"energy": -16.94554617,
"energy_per_atom": -8.472773085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.94554617,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008222,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.293000Z",
"spacegroup": 221
},
{
"id": "mp-1220071",
"created_at": "2022-09-04T14:39:46.355637Z",
"structure_string": "Ni1 Ir1\n1.0\n4.242095 -1.338541 0.000000\n4.242095 1.338541 0.000000\n3.819735 0.000000 2.279625\nNi Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ni",
"Ir"
],
"chemical_system": "Ir-Ni",
"density": 16.09393655787321,
"density_atomic": 0.07725463063110642,
"volume": 25.88841579671865,
"volume_molar": 7.795184199062362,
"formula_full": "Ni1 Ir1",
"formula_reduced": "NiIr",
"formula_anonymous": "AB",
"energy": -14.5935692,
"energy_per_atom": -7.2967846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.5935692,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0341903,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.807000Z",
"spacegroup": 166
},
{
"id": "mp-1183396",
"created_at": "2022-09-04T14:44:13.124667Z",
"structure_string": "Ba1 Th1\n1.0\n3.775789 0.000000 0.000000\n-1.887894 3.269922 0.000000\n0.000000 0.000000 6.509805\nBa Th\n1 1\ndirect\n0.666666 0.333332 0.750000 Ba\n0.333334 0.666668 0.250000 Th\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Th"
],
"chemical_system": "Ba-Th",
"density": 7.631182131128431,
"density_atomic": 0.024883811681989422,
"volume": 80.37353865073548,
"volume_molar": 24.20103815670148,
"formula_full": "Ba1 Th1",
"formula_reduced": "BaTh",
"formula_anonymous": "AB",
"energy": -8.44518858,
"energy_per_atom": -4.22259429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.44518858,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003576,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.974000Z",
"spacegroup": 187
},
{
"id": "mp-1031",
"created_at": "2022-09-04T14:44:15.927582Z",
"structure_string": "Gd1 Cd1\n1.0\n3.772169 0.000000 0.000000\n0.000000 3.772169 0.000000\n0.000000 0.000000 3.772169\nGd Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Gd",
"Cd"
],
"chemical_system": "Cd-Gd",
"density": 8.342453855604024,
"density_atomic": 0.03726117712210058,
"volume": 53.6751695590891,
"volume_molar": 16.161971320085083,
"formula_full": "Gd1 Cd1",
"formula_reduced": "GdCd",
"formula_anonymous": "AB",
"energy": -15.68919825,
"energy_per_atom": -7.844599125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.68919825,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.5297838,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.663000Z",
"spacegroup": 221
},
{
"id": "mp-1006883",
"created_at": "2022-09-04T14:44:10.415275Z",
"structure_string": "Co1 Ni1\n1.0\n2.802193 0.000000 0.000000\n0.000000 2.802193 0.000000\n0.000000 0.000000 2.802193\nCo Ni\n1 1\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Co",
"Ni"
],
"chemical_system": "Co-Ni",
"density": 8.876882909537516,
"density_atomic": 0.09089413564976041,
"volume": 22.00361976823828,
"volume_molar": 6.625444773692475,
"formula_full": "Co1 Ni1",
"formula_reduced": "CoNi",
"formula_anonymous": "AB",
"energy": -12.58368363,
"energy_per_atom": -6.291841815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.58368363,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3086642,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.313000Z",
"spacegroup": 221
},
{
"id": "mp-1001789",
"created_at": "2022-09-04T14:44:05.783287Z",
"structure_string": "Ir1 C1\n1.0\n0.000000 2.317418 2.317418\n2.317418 0.000000 2.317418\n2.317418 2.317418 0.000000\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"C"
],
"chemical_system": "C-Ir",
"density": 13.624501479679607,
"density_atomic": 0.08035018337259162,
"volume": 24.891044625571116,
"volume_molar": 7.494868719931537,
"formula_full": "Ir1 C1",
"formula_reduced": "IrC",
"formula_anonymous": "AB",
"energy": -17.00326099,
"energy_per_atom": -8.501630495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.00326099,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017278,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.225000Z",
"spacegroup": 216
},
{
"id": "mp-1186661",
"created_at": "2022-09-04T14:44:11.168352Z",
"structure_string": "Pu1 Cl1\n1.0\n1.786377 -3.094096 0.000000\n1.786377 3.094096 0.000000\n0.000000 0.000000 4.482002\nPu Cl\n1 1\ndirect\n0.333333 0.666667 0.000000 Pu\n0.666667 0.333333 0.500000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Cl"
],
"chemical_system": "Cl-Pu",
"density": 9.365887335185617,
"density_atomic": 0.040366495900405905,
"volume": 49.5460394911288,
"volume_molar": 14.91866119580482,
"formula_full": "Pu1 Cl1",
"formula_reduced": "PuCl",
"formula_anonymous": "AB",
"energy": -18.89397778,
"energy_per_atom": -9.44698889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.27997778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.4208457,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.545000Z",
"spacegroup": 187
}
]
}