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=47",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=45",
"results": [
{
"id": "mp-1009483",
"created_at": "2022-09-04T14:48:09.754180Z",
"structure_string": "Ni1 N1\n1.0\n2.537711 0.000000 0.000000\n0.000000 2.537711 0.000000\n0.000000 0.000000 2.537711\nNi N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ni",
"N"
],
"chemical_system": "N-Ni",
"density": 7.386821748040263,
"density_atomic": 0.12237804446238894,
"volume": 16.342800775956754,
"volume_molar": 4.92093233427244,
"formula_full": "Ni1 N1",
"formula_reduced": "NiN",
"formula_anonymous": "AB",
"energy": -12.2557439,
"energy_per_atom": -6.12787195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.8947439,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0190632,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:42.324000Z",
"spacegroup": 221
},
{
"id": "mp-1625",
"created_at": "2022-09-04T14:45:37.849064Z",
"structure_string": "Sn1 Sb1\n1.0\n3.803308 0.000000 0.000000\n0.000000 3.803308 0.000000\n0.000000 0.000000 3.803308\nSn Sb\n1 1\ndirect\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sn",
"Sb"
],
"chemical_system": "Sb-Sn",
"density": 7.2581428267809605,
"density_atomic": 0.03635343932645597,
"volume": 55.0154273448486,
"volume_molar": 16.565532372111566,
"formula_full": "Sn1 Sb1",
"formula_reduced": "SnSb",
"formula_anonymous": "AB",
"energy": -8.03205756,
"energy_per_atom": -4.01602878,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.84005756,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004895,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.977000Z",
"spacegroup": 221
},
{
"id": "mp-1059160",
"created_at": "2022-09-04T14:41:33.689961Z",
"structure_string": "Br1 N1\n1.0\n3.047445 0.000000 0.000000\n0.000000 3.047445 0.000000\n0.000000 0.000000 3.047445\nBr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Br",
"N"
],
"chemical_system": "Br-N",
"density": 5.510062771631311,
"density_atomic": 0.07066792946632623,
"volume": 28.30138105224965,
"volume_molar": 8.521745019952215,
"formula_full": "Br1 N1",
"formula_reduced": "BrN",
"formula_anonymous": "AB",
"energy": -4.5996594,
"energy_per_atom": -2.2998297,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.2386594,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009269,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.343000Z",
"spacegroup": 221
},
{
"id": "mp-155",
"created_at": "2022-09-04T14:40:16.860170Z",
"structure_string": "Gd2\n1.0\n1.806967 -3.129758 0.000000\n1.806967 3.129758 0.000000\n0.000000 0.000000 5.770074\nGd\n2\ndirect\n0.333333 0.666667 0.250000 Gd\n0.666667 0.333333 0.750000 Gd\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Gd"
],
"chemical_system": "Gd",
"density": 8.001978666054116,
"density_atomic": 0.03064485971519747,
"volume": 65.26380014747319,
"volume_molar": 19.651389551029613,
"formula_full": "Gd2",
"formula_reduced": "Gd",
"formula_anonymous": "A",
"energy": -28.15224448,
"energy_per_atom": -14.07612224,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.15224448,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.303261,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:53.854000Z",
"spacegroup": 194
},
{
"id": "mp-1187907",
"created_at": "2022-09-04T14:46:26.718353Z",
"structure_string": "Yb1 Br1\n1.0\n1.919821 -3.325228 0.000000\n1.919821 3.325228 0.000000\n0.000000 0.000000 4.367587\nYb Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.333333 0.666667 0.500000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Br"
],
"chemical_system": "Br-Yb",
"density": 7.532163741164068,
"density_atomic": 0.03586544870985957,
"volume": 55.763975412084875,
"volume_molar": 16.790925463437706,
"formula_full": "Yb1 Br1",
"formula_reduced": "YbBr",
"formula_anonymous": "AB",
"energy": -6.33264441,
"energy_per_atom": -3.166322205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.79864441,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7997679,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.651000Z",
"spacegroup": 187
},
{
"id": "mp-1094882",
"created_at": "2022-09-04T14:48:10.054193Z",
"structure_string": "Mg1 Zr1\n1.0\n1.528984 -2.648278 0.000000\n1.528984 2.648278 0.000000\n0.000000 0.000000 5.531548\nMg Zr\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.500000 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Zr"
],
"chemical_system": "Mg-Zr",
"density": 4.282495518215639,
"density_atomic": 0.04464643652013975,
"volume": 44.79640831128396,
"volume_molar": 13.488513819649295,
"formula_full": "Mg1 Zr1",
"formula_reduced": "MgZr",
"formula_anonymous": "AB",
"energy": -10.02161502,
"energy_per_atom": -5.01080751,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.02161502,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0049117,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.845000Z",
"spacegroup": 187
},
{
"id": "mp-1206752",
"created_at": "2022-09-04T14:48:10.088609Z",
"structure_string": "Ce1 Tl1\n1.0\n3.886391 0.000000 0.000000\n0.000000 3.886391 0.000000\n0.000000 0.000000 3.886391\nCe Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"Tl"
],
"chemical_system": "Ce-Tl",
"density": 9.745361776623868,
"density_atomic": 0.03407144246518579,
"volume": 58.70018570665449,
"volume_molar": 17.675039048180672,
"formula_full": "Ce1 Tl1",
"formula_reduced": "CeTl",
"formula_anonymous": "AB",
"energy": -8.72024729,
"energy_per_atom": -4.360123645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.72024729,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.881699,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:32.927000Z",
"spacegroup": 221
},
{
"id": "mp-2673",
"created_at": "2022-09-04T14:48:13.642103Z",
"structure_string": "Yb1 Pb1\n1.0\n3.564859 0.000000 0.000000\n0.000000 3.564859 0.000000\n0.000000 0.000000 4.581978\nYb Pb\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Pb"
],
"chemical_system": "Pb-Yb",
"density": 10.84349254336546,
"density_atomic": 0.03434727458906156,
"volume": 58.22878303820158,
"volume_molar": 17.53309638697752,
"formula_full": "Yb1 Pb1",
"formula_reduced": "YbPb",
"formula_anonymous": "AB",
"energy": -6.35362072,
"energy_per_atom": -3.17681036,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.35362072,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.14e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:35.800000Z",
"spacegroup": 123
},
{
"id": "mp-1009079",
"created_at": "2022-09-04T14:48:13.935647Z",
"structure_string": "Cr1 Te1\n1.0\n0.000000 2.860465 2.860465\n2.860465 0.000000 2.860465\n2.860465 2.860465 0.000000\nCr Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"Te"
],
"chemical_system": "Cr-Te",
"density": 6.37097775568267,
"density_atomic": 0.042725788407219,
"volume": 46.81013679462209,
"volume_molar": 14.094861638603472,
"formula_full": "Cr1 Te1",
"formula_reduced": "CrTe",
"formula_anonymous": "AB",
"energy": -13.21722871,
"energy_per_atom": -6.608614355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.79522871,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:39.128000Z",
"spacegroup": 225
},
{
"id": "mp-1187910",
"created_at": "2022-09-04T14:40:18.128725Z",
"structure_string": "Zn1 Os1\n1.0\n1.378981 -2.388465 0.000000\n1.378981 2.388465 0.000000\n0.000000 0.000000 4.322137\nZn Os\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.333333 0.666667 0.500000 Os\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Os"
],
"chemical_system": "Os-Zn",
"density": 14.909755412047351,
"density_atomic": 0.07024643800010953,
"volume": 28.471194510914298,
"volume_molar": 8.572877047503264,
"formula_full": "Zn1 Os1",
"formula_reduced": "ZnOs",
"formula_anonymous": "AB",
"energy": -12.0329826,
"energy_per_atom": -6.0164913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.0329826,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0124687,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.979000Z",
"spacegroup": 187
},
{
"id": "mp-1912",
"created_at": "2022-09-04T14:48:14.072596Z",
"structure_string": "Zn1 Ag1\n1.0\n3.191211 0.000000 0.000000\n0.000000 3.191211 0.000000\n0.000000 0.000000 3.191211\nZn Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Ag"
],
"chemical_system": "Ag-Zn",
"density": 8.853682791786275,
"density_atomic": 0.06154084211304468,
"volume": 32.49874280768193,
"volume_molar": 9.785600185544908,
"formula_full": "Zn1 Ag1",
"formula_reduced": "ZnAg",
"formula_anonymous": "AB",
"energy": -4.19151912,
"energy_per_atom": -2.09575956,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.19151912,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002065,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:41.726000Z",
"spacegroup": 221
},
{
"id": "mp-11",
"created_at": "2022-09-04T14:45:18.165718Z",
"structure_string": "As2\n1.0\n3.707423 -1.913943 0.000000\n3.707423 1.913943 0.000000\n2.719357 0.000000 3.164373\nAs\n2\ndirect\n0.227320 0.227320 0.227320 As\n0.772680 0.772680 0.772680 As\n",
"nsites": 2,
"nelements": 1,
"elements": [
"As"
],
"chemical_system": "As",
"density": 5.540734383642445,
"density_atomic": 0.04453599814152073,
"volume": 44.90749244340856,
"volume_molar": 13.521962033642135,
"formula_full": "As2",
"formula_reduced": "As",
"formula_anonymous": "A",
"energy": -9.31823681,
"energy_per_atom": -4.659118405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.31823681,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001467,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:00.468000Z",
"spacegroup": 166
}
]
}