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=7",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=5",
"results": [
{
"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-1009078",
"created_at": "2022-09-04T14:46:20.110573Z",
"structure_string": "Co1 N1\n1.0\n0.000000 2.003702 2.003702\n2.003702 0.000000 2.003702\n2.003702 2.003702 0.000000\nCo N\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Co",
"N"
],
"chemical_system": "Co-N",
"density": 7.528090659147261,
"density_atomic": 0.12430843674533089,
"volume": 16.08901255911837,
"volume_molar": 4.844514916020932,
"formula_full": "Co1 N1",
"formula_reduced": "CoN",
"formula_anonymous": "AB",
"energy": -14.84425751,
"energy_per_atom": -7.422128755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.48325751,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0141299,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.798000Z",
"spacegroup": 225
},
{
"id": "mp-8637",
"created_at": "2022-09-04T14:47:03.923553Z",
"structure_string": "Mo1\n1.0\n0.000000 2.005993 2.005993\n2.005993 0.000000 2.005993\n2.005993 2.005993 0.000000\nMo\n1\ndirect\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mo"
],
"chemical_system": "Mo",
"density": 9.868032617819642,
"density_atomic": 0.06194150663885528,
"volume": 16.144263423077767,
"volume_molar": 9.722302680029376,
"formula_full": "Mo1",
"formula_reduced": "Mo",
"formula_anonymous": "A",
"energy": -10.43418293,
"energy_per_atom": -10.43418293,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.43418293,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009616,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.584000Z",
"spacegroup": 225
},
{
"id": "mp-91",
"created_at": "2022-09-04T14:43:55.560345Z",
"structure_string": "W1\n1.0\n-1.593707 1.593707 1.593707\n1.593707 -1.593707 1.593707\n1.593707 1.593707 -1.593707\nW\n1\ndirect\n0.000000 0.000000 0.000000 W\n",
"nsites": 1,
"nelements": 1,
"elements": [
"W"
],
"chemical_system": "W",
"density": 18.854007561757314,
"density_atomic": 0.06176103539286579,
"volume": 16.191438398643058,
"volume_molar": 9.750712114349747,
"formula_full": "W1",
"formula_reduced": "W",
"formula_anonymous": "A",
"energy": -12.95812647,
"energy_per_atom": -12.95812647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.95812647,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004241,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.617000Z",
"spacegroup": 229
},
{
"id": "mp-1183691",
"created_at": "2022-09-04T14:39:37.734981Z",
"structure_string": "Cr1 N1\n1.0\n1.341337 -2.323263 0.000000\n1.341337 2.323263 0.000000\n0.000000 0.000000 2.600186\nCr N\n1 1\ndirect\n0.666667 0.333333 0.500000 Cr\n0.333333 0.666667 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 6.763021459578051,
"density_atomic": 0.12341254373012768,
"volume": 16.20580809332882,
"volume_molar": 4.879682873378668,
"formula_full": "Cr1 N1",
"formula_reduced": "CrN",
"formula_anonymous": "AB",
"energy": -19.37261583,
"energy_per_atom": -9.686307915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.01161583,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.070937,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.829000Z",
"spacegroup": 187
},
{
"id": "mp-1009128",
"created_at": "2022-09-04T14:48:00.417015Z",
"structure_string": "Mn1 N1\n1.0\n2.530699 0.000000 0.000000\n0.000000 2.530699 0.000000\n0.000000 0.000000 2.530699\nMn N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"N"
],
"chemical_system": "Mn-N",
"density": 7.063643732316814,
"density_atomic": 0.12339811206555025,
"volume": 16.20770339612312,
"volume_molar": 4.880253562389173,
"formula_full": "Mn1 N1",
"formula_reduced": "MnN",
"formula_anonymous": "AB",
"energy": -17.00893264,
"energy_per_atom": -8.50446632,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.64793264,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8231097,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.153000Z",
"spacegroup": 221
},
{
"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-1180619",
"created_at": "2022-09-04T14:47:55.338079Z",
"structure_string": "Li1 O1\n1.0\n2.538121 0.000000 0.000000\n0.000000 2.538121 0.000000\n0.000000 0.000000 2.538121\nLi O\n1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"O"
],
"chemical_system": "Li-O",
"density": 2.3297703638583824,
"density_atomic": 0.12231874836079697,
"volume": 16.35072322765034,
"volume_molar": 4.923317840235594,
"formula_full": "Li1 O1",
"formula_reduced": "LiO",
"formula_anonymous": "AB",
"energy": -9.5791606,
"energy_per_atom": -4.7895803,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.8921606,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0005528,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.857000Z",
"spacegroup": 221
},
{
"id": "mp-134",
"created_at": "2022-09-04T14:47:09.666421Z",
"structure_string": "Al1\n1.0\n0.000000 2.019465 2.019465\n2.019465 0.000000 2.019465\n2.019465 2.019465 0.000000\nAl\n1\ndirect\n0.000000 0.000000 0.000000 Al\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.7200495853324616,
"density_atomic": 0.060710108958398956,
"volume": 16.471721384740732,
"volume_molar": 9.919502473841082,
"formula_full": "Al1",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -3.74557583,
"energy_per_atom": -3.74557583,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.74557583,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004155,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:53.724000Z",
"spacegroup": 225
},
{
"id": "mp-107",
"created_at": "2022-09-04T14:39:07.630165Z",
"structure_string": "Pu1\n1.0\n-1.603259 1.603259 1.603259\n1.603259 -1.603259 1.603259\n1.603259 1.603259 -1.603259\nPu\n1\ndirect\n0.000000 0.000000 0.000000 Pu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 24.57920732542739,
"density_atomic": 0.06066370751397509,
"volume": 16.48432054321161,
"volume_molar": 9.927089864417997,
"formula_full": "Pu1",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -13.72209501,
"energy_per_atom": -13.72209501,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.72209501,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0120316,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.072000Z",
"spacegroup": 229
},
{
"id": "mp-714851",
"created_at": "2022-09-04T14:46:30.903440Z",
"structure_string": "B1 N1\n1.0\n0.000000 2.169916 3.022540\n1.257670 0.000000 3.022540\n1.257670 2.169916 0.000000\nB N\n1 1\ndirect\n0.979643 0.022163 0.016501 B\n0.668506 0.316493 0.667615 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 2.4980374883647456,
"density_atomic": 0.12123229295130557,
"volume": 16.49725457888786,
"volume_molar": 4.967439461380861,
"formula_full": "B1 N1",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy": -17.742282420000002,
"energy_per_atom": -8.871141210000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.38128242,
"band_gap": 2.8663,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.48e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.014000Z",
"spacegroup": 1
},
{
"id": "mp-8641",
"created_at": "2022-09-04T14:40:27.509041Z",
"structure_string": "W1\n1.0\n0.000000 2.021631 2.021631\n2.021631 0.000000 2.021631\n2.021631 2.021631 0.000000\nW\n1\ndirect\n0.000000 0.000000 0.000000 W\n",
"nsites": 1,
"nelements": 1,
"elements": [
"W"
],
"chemical_system": "W",
"density": 18.473681323464337,
"density_atomic": 0.06051518131186431,
"volume": 16.524779044228772,
"volume_molar": 9.951454543224393,
"formula_full": "W1",
"formula_reduced": "W",
"formula_anonymous": "A",
"energy": -12.48670239,
"energy_per_atom": -12.48670239,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.48670239,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001111,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.423000Z",
"spacegroup": 225
}
]
}