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=56",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=54",
"results": [
{
"id": "mp-1548",
"created_at": "2022-09-04T14:46:01.833423Z",
"structure_string": "Pr1 Mg1\n1.0\n3.911893 0.000000 0.000000\n0.000000 3.911893 0.000000\n0.000000 0.000000 3.911893\nPr Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"Mg"
],
"chemical_system": "Mg-Pr",
"density": 4.582806211324408,
"density_atomic": 0.033409432134809625,
"volume": 59.86333416054024,
"volume_molar": 18.02527123388449,
"formula_full": "Pr1 Mg1",
"formula_reduced": "PrMg",
"formula_anonymous": "AB",
"energy": -6.60663548,
"energy_per_atom": -3.30331774,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.60663548,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0462281,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.085000Z",
"spacegroup": 221
},
{
"id": "mp-972845",
"created_at": "2022-09-04T14:46:02.220714Z",
"structure_string": "Si1 Mo1\n1.0\n1.566794 -2.713767 0.000000\n1.566794 2.713767 0.000000\n0.000000 0.000000 3.523341\nSi Mo\n1 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.333333 0.666667 0.500000 Mo\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Si",
"Mo"
],
"chemical_system": "Mo-Si",
"density": 6.873706019722702,
"density_atomic": 0.06675147483047353,
"volume": 29.96188481347165,
"volume_molar": 9.02173438908163,
"formula_full": "Si1 Mo1",
"formula_reduced": "SiMo",
"formula_anonymous": "AB",
"energy": -16.79912826,
"energy_per_atom": -8.39956413,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.87012826,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003339,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.729000Z",
"spacegroup": 187
},
{
"id": "mp-1431697",
"created_at": "2022-09-04T14:46:01.896804Z",
"structure_string": "Sb1 N1\n1.0\n3.070296 0.000000 0.000000\n0.000000 3.070296 0.000000\n0.000000 0.000000 3.070296\nSb N\n1 1\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sb",
"N"
],
"chemical_system": "N-Sb",
"density": 7.789357184213553,
"density_atomic": 0.06910178329363809,
"volume": 28.94281311816929,
"volume_molar": 8.714884729399499,
"formula_full": "Sb1 N1",
"formula_reduced": "SbN",
"formula_anonymous": "AB",
"energy": -10.01190064,
"energy_per_atom": -5.00595032,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.65090064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.95e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.626000Z",
"spacegroup": 221
},
{
"id": "mp-1056955",
"created_at": "2022-09-04T14:42:24.775257Z",
"structure_string": "Ag1 N1\n1.0\n0.000000 2.308080 2.308080\n2.308080 0.000000 2.308080\n2.308080 2.308080 0.000000\nAg N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"N"
],
"chemical_system": "Ag-N",
"density": 8.229639302256075,
"density_atomic": 0.0813293734794304,
"volume": 24.59136120734822,
"volume_molar": 7.404631933532727,
"formula_full": "Ag1 N1",
"formula_reduced": "AgN",
"formula_anonymous": "AB",
"energy": -8.329642400000001,
"energy_per_atom": -4.1648212000000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.9686424,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011466,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.994000Z",
"spacegroup": 225
},
{
"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-2678",
"created_at": "2022-09-04T14:46:20.514070Z",
"structure_string": "V1 Pt1\n1.0\n2.704257 0.000000 0.000000\n0.000000 2.704257 0.000000\n0.000000 0.000000 3.917803\nV Pt\n1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"Pt"
],
"chemical_system": "Pt-V",
"density": 14.259053582227574,
"density_atomic": 0.06980579477024254,
"volume": 28.650916540421346,
"volume_molar": 8.62699261547148,
"formula_full": "V1 Pt1",
"formula_reduced": "VPt",
"formula_anonymous": "AB",
"energy": -16.25572155,
"energy_per_atom": -8.127860775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.25572155,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024183,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:26.394000Z",
"spacegroup": 123
},
{
"id": "mp-492",
"created_at": "2022-09-04T14:46:24.352767Z",
"structure_string": "Ti1 N1\n1.0\n0.000000 2.126767 2.126767\n2.126767 0.000000 2.126767\n2.126767 2.126767 0.000000\nTi N\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"N"
],
"chemical_system": "N-Ti",
"density": 5.340297482734746,
"density_atomic": 0.10395377406690122,
"volume": 19.23932072646892,
"volume_molar": 5.793094877079065,
"formula_full": "Ti1 N1",
"formula_reduced": "TiN",
"formula_anonymous": "AB",
"energy": -20.02599517,
"energy_per_atom": -10.012997585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.66499517,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002595,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:32.083000Z",
"spacegroup": 225
},
{
"id": "mp-11452",
"created_at": "2022-09-04T14:42:37.906951Z",
"structure_string": "Hf1 Os1\n1.0\n3.258835 0.000000 0.000000\n0.000000 3.258835 0.000000\n0.000000 0.000000 3.258835\nHf Os\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Os\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Os"
],
"chemical_system": "Hf-Os",
"density": 17.691256391406036,
"density_atomic": 0.057788693993878544,
"volume": 34.60884581007933,
"volume_molar": 10.420967050471697,
"formula_full": "Hf1 Os1",
"formula_reduced": "HfOs",
"formula_anonymous": "AB",
"energy": -22.60216114,
"energy_per_atom": -11.30108057,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.60216114,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009378,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.119000Z",
"spacegroup": 221
},
{
"id": "mp-169",
"created_at": "2022-09-04T14:42:24.446100Z",
"structure_string": "C2\n1.0\n4.083008 -1.234177 0.000000\n4.083008 1.234177 0.000000\n3.709952 0.000000 2.104853\nC\n2\ndirect\n0.166668 0.166668 0.166668 C\n0.833332 0.833332 0.833332 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.8803468488618567,
"density_atomic": 0.09428021185594328,
"volume": 21.213359204749423,
"volume_molar": 6.387491756172134,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -18.45088693,
"energy_per_atom": -9.225443465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.45088693,
"band_gap": 0.5311999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.163000Z",
"spacegroup": 166
},
{
"id": "mp-20340",
"created_at": "2022-09-04T14:46:19.823387Z",
"structure_string": "Eu1 N1\n1.0\n3.110188 0.000000 1.795668\n1.036729 2.932313 1.795668\n0.000000 0.000000 3.591335\nEu N\n1 1\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Eu",
"N"
],
"chemical_system": "Eu-N",
"density": 8.414486886506792,
"density_atomic": 0.06106285563804892,
"volume": 32.753135750070925,
"volume_molar": 9.862199690915764,
"formula_full": "Eu1 N1",
"formula_reduced": "EuN",
"formula_anonymous": "AB",
"energy": -20.60976676,
"energy_per_atom": -10.30488338,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.24876676,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9985593,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:24.214000Z",
"spacegroup": 225
},
{
"id": "mp-1330",
"created_at": "2022-09-04T14:46:19.485320Z",
"structure_string": "Al1 N1\n1.0\n0.000000 2.034518 2.034518\n2.034518 0.000000 2.034518\n2.034518 2.034518 0.000000\nAl N\n1 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"N"
],
"chemical_system": "Al-N",
"density": 4.041045569153921,
"density_atomic": 0.11874501600773417,
"volume": 16.842812163752075,
"volume_molar": 5.071489282217759,
"formula_full": "Al1 N1",
"formula_reduced": "AlN",
"formula_anonymous": "AB",
"energy": -14.90685949,
"energy_per_atom": -7.453429745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.54585949,
"band_gap": 4.417499999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00051,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.387000Z",
"spacegroup": 225
},
{
"id": "mp-1094774",
"created_at": "2022-09-04T14:42:21.059036Z",
"structure_string": "Sr1 Mg1\n1.0\n2.025837 -3.508853 0.000000\n2.025837 3.508853 0.000000\n0.000000 0.000000 5.589380\nSr Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.500000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.3389066849323648,
"density_atomic": 0.02516904228016122,
"volume": 79.46269777521265,
"volume_molar": 23.926777558583467,
"formula_full": "Sr1 Mg1",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -3.02659136,
"energy_per_atom": -1.51329568,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.02659136,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0378428,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.550000Z",
"spacegroup": 187
}
]
}