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=-volume&page=12178",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=12176",
"results": [
{
"id": "mp-11276",
"created_at": "2022-09-04T14:44:27.727313Z",
"structure_string": "Be1 Rh1\n1.0\n2.786392 0.000000 0.000000\n0.000000 2.786392 0.000000\n0.000000 0.000000 2.786392\nBe Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Be",
"Rh"
],
"chemical_system": "Be-Rh",
"density": 8.590553768419028,
"density_atomic": 0.09244924143022516,
"volume": 21.633492812479954,
"volume_molar": 6.513996942360127,
"formula_full": "Be1 Rh1",
"formula_reduced": "BeRh",
"formula_anonymous": "AB",
"energy": -12.31935258,
"energy_per_atom": -6.15967629,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.31935258,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010401,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.301000Z",
"spacegroup": 221
},
{
"id": "mp-251",
"created_at": "2022-09-04T14:45:53.636510Z",
"structure_string": "Ta1 N1\n1.0\n0.000000 2.211323 2.211323\n2.211323 0.000000 2.211323\n2.211323 2.211323 0.000000\nTa N\n1 1\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"N"
],
"chemical_system": "N-Ta",
"density": 14.969110525290729,
"density_atomic": 0.09247906939806273,
"volume": 21.626515199793914,
"volume_molar": 6.511895934071923,
"formula_full": "Ta1 N1",
"formula_reduced": "TaN",
"formula_anonymous": "AB",
"energy": -22.23950866,
"energy_per_atom": -11.11975433,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.87850866,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.4e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:13.940000Z",
"spacegroup": 225
},
{
"id": "mp-24726",
"created_at": "2022-09-04T14:45:21.878856Z",
"structure_string": "Ti1 H2\n1.0\n-1.597207 1.597207 2.117921\n1.597207 -1.597207 2.117921\n1.597207 1.597207 -2.117921\nTi H\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.750000 0.500000 H\n0.750000 0.250000 0.500000 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"H"
],
"chemical_system": "H-Ti",
"density": 3.8327320592403327,
"density_atomic": 0.13881266657470256,
"volume": 21.611860603409262,
"volume_molar": 4.338322221307638,
"formula_full": "Ti1 H2",
"formula_reduced": "TiH2",
"formula_anonymous": "AB2",
"energy": -16.48926908,
"energy_per_atom": -5.496423026666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.13126908,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003364,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:04.477000Z",
"spacegroup": 139
},
{
"id": "mp-10257",
"created_at": "2022-09-04T14:44:56.691243Z",
"structure_string": "Ni2\n1.0\n1.237139 -2.142788 0.000000\n1.237139 2.142788 0.000000\n0.000000 0.000000 4.070181\nNi\n2\ndirect\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.750000 Ni\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 9.032894531270559,
"density_atomic": 0.09268054390501164,
"volume": 21.579502188180957,
"volume_molar": 6.497739985397687,
"formula_full": "Ni2",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy": -11.50798865,
"energy_per_atom": -5.753994325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.50798865,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2669023,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.795000Z",
"spacegroup": 194
},
{
"id": "mp-1001827",
"created_at": "2022-09-04T14:41:47.087843Z",
"structure_string": "Ir1 C1\n1.0\n1.525126 -2.641596 0.000000\n1.525126 2.641596 0.000000\n0.000000 0.000000 2.673382\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.333333 0.666667 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"C"
],
"chemical_system": "C-Ir",
"density": 15.743475237164242,
"density_atomic": 0.09284678225582677,
"volume": 21.540864975689413,
"volume_molar": 6.486106048787781,
"formula_full": "Ir1 C1",
"formula_reduced": "IrC",
"formula_anonymous": "AB",
"energy": -15.62565319,
"energy_per_atom": -7.812826595,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.62565319,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000322,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.056000Z",
"spacegroup": 187
},
{
"id": "mp-22746",
"created_at": "2022-09-04T14:41:06.271851Z",
"structure_string": "Co1 Si1\n1.0\n2.781334 0.000000 0.000000\n0.000000 2.781334 0.000000\n0.000000 0.000000 2.781334\nCo Si\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Si\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Co",
"Si"
],
"chemical_system": "Co-Si",
"density": 6.715869199178636,
"density_atomic": 0.09295453041942028,
"volume": 21.515895900670973,
"volume_molar": 6.47858768456738,
"formula_full": "Co1 Si1",
"formula_reduced": "CoSi",
"formula_anonymous": "AB",
"energy": -13.29219782,
"energy_per_atom": -6.64609891,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.36319782,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6461222,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.664000Z",
"spacegroup": 221
},
{
"id": "mp-1009596",
"created_at": "2022-09-04T14:44:24.558538Z",
"structure_string": "Pd1 N1\n1.0\n2.778339 0.000000 0.000000\n0.000000 2.778339 0.000000\n0.000000 0.000000 2.778339\nPd N\n1 1\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pd",
"N"
],
"chemical_system": "N-Pd",
"density": 9.324298700123567,
"density_atomic": 0.09325546457693214,
"volume": 21.44646438761857,
"volume_molar": 6.457681367328311,
"formula_full": "Pd1 N1",
"formula_reduced": "PdN",
"formula_anonymous": "AB",
"energy": -10.84780607,
"energy_per_atom": -5.423903035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.48680607,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0065062,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.601000Z",
"spacegroup": 221
},
{
"id": "mp-1001824",
"created_at": "2022-09-04T14:39:13.161323Z",
"structure_string": "Ir1 C1\n1.0\n0.000000 2.203378 2.203378\n2.203378 0.000000 2.203378\n2.203378 2.203378 0.000000\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"C"
],
"chemical_system": "C-Ir",
"density": 15.851367020381009,
"density_atomic": 0.09348307155997435,
"volume": 21.394247820760725,
"volume_molar": 6.441958591547218,
"formula_full": "Ir1 C1",
"formula_reduced": "IrC",
"formula_anonymous": "AB",
"energy": -15.21808914,
"energy_per_atom": -7.60904457,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.21808914,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5130612,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.008000Z",
"spacegroup": 225
},
{
"id": "mp-1009823",
"created_at": "2022-09-04T14:40:58.789117Z",
"structure_string": "Be1 B2\n1.0\n1.464845 -2.537187 0.000000\n1.464845 2.537187 0.000000\n0.000000 0.000000 2.877335\nBe B\n1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Be",
"B"
],
"chemical_system": "B-Be",
"density": 2.3784323923271464,
"density_atomic": 0.14026737837838235,
"volume": 21.387724178513288,
"volume_molar": 4.293329517968746,
"formula_full": "Be1 B2",
"formula_reduced": "BeB2",
"formula_anonymous": "AB2",
"energy": -16.73751164,
"energy_per_atom": -5.579170546666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.73751164,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004941,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.757000Z",
"spacegroup": 191
},
{
"id": "mp-1008986",
"created_at": "2022-09-04T14:39:06.363144Z",
"structure_string": "Ir1 N1\n1.0\n0.000000 2.202588 2.202588\n2.202588 0.000000 2.202588\n2.202588 2.202588 0.000000\nIr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"N"
],
"chemical_system": "Ir-N",
"density": 16.02351790431156,
"density_atomic": 0.09358369607711561,
"volume": 21.371243964888322,
"volume_molar": 6.435031968642899,
"formula_full": "Ir1 N1",
"formula_reduced": "IrN",
"formula_anonymous": "AB",
"energy": -14.604289130000002,
"energy_per_atom": -7.302144565000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.24328913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2618509,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.764000Z",
"spacegroup": 225
},
{
"id": "mp-1002187",
"created_at": "2022-09-04T14:46:29.885591Z",
"structure_string": "Tc1 B1\n1.0\n0.000000 2.202570 2.202570\n2.202570 0.000000 2.202570\n2.202570 2.202570 0.000000\nTc B\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tc",
"B"
],
"chemical_system": "B-Tc",
"density": 8.454788431007788,
"density_atomic": 0.09358599046997802,
"volume": 21.37072001862919,
"volume_molar": 6.43487420473674,
"formula_full": "Tc1 B1",
"formula_reduced": "TcB",
"formula_anonymous": "AB",
"energy": -17.05557347,
"energy_per_atom": -8.527786735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.05557347,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0454974,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.398000Z",
"spacegroup": 225
},
{
"id": "mp-1700",
"created_at": "2022-09-04T14:40:29.955837Z",
"structure_string": "Al1 N1\n1.0\n0.000000 2.200722 2.200722\n2.200722 0.000000 2.200722\n2.200722 2.200722 0.000000\nAl N\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"N"
],
"chemical_system": "Al-N",
"density": 3.1928815143875897,
"density_atomic": 0.09382194782231412,
"volume": 21.31697376170153,
"volume_molar": 6.418690828509665,
"formula_full": "Al1 N1",
"formula_reduced": "AlN",
"formula_anonymous": "AB",
"energy": -15.20817726,
"energy_per_atom": -7.60408863,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.84717726,
"band_gap": 3.3056,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002381,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.170000Z",
"spacegroup": 216
}
]
}