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-22919",
"created_at": "2022-09-04T14:48:08.447774Z",
"structure_string": "Ag1 I1\n1.0\n0.000000 3.084500 3.084500\n3.084500 0.000000 3.084500\n3.084500 3.084500 0.000000\nAg I\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"I"
],
"chemical_system": "Ag-I",
"density": 6.6422056414720885,
"density_atomic": 0.0340757698446197,
"volume": 58.69273120224999,
"volume_molar": 17.67279444443967,
"formula_full": "Ag1 I1",
"formula_reduced": "AgI",
"formula_anonymous": "AB",
"energy": -5.112435120000001,
"energy_per_atom": -2.5562175600000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.73343512,
"band_gap": 0.7684000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001062,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:27.276000Z",
"spacegroup": 225
},
{
"id": "mp-1225278",
"created_at": "2022-09-04T14:43:17.263353Z",
"structure_string": "Dy1 Er1\n1.0\n1.791736 -3.103377 0.000000\n1.791736 3.103377 0.000000\n0.000000 0.000000 5.681263\nDy Er\n1 1\ndirect\n0.666667 0.333333 0.500000 Dy\n0.333333 0.666667 0.000000 Er\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Dy",
"Er"
],
"chemical_system": "Dy-Er",
"density": 8.666870512782314,
"density_atomic": 0.031655308388674946,
"volume": 63.18055649445271,
"volume_molar": 19.02411022523632,
"formula_full": "Dy1 Er1",
"formula_reduced": "DyEr",
"formula_anonymous": "AB",
"energy": -9.14852593,
"energy_per_atom": -4.574262965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.14852593,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6304805,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.599000Z",
"spacegroup": 187
},
{
"id": "mp-1459",
"created_at": "2022-09-04T14:42:08.003192Z",
"structure_string": "Ta1 N1\n1.0\n1.477020 -2.558274 0.000000\n1.477020 2.558274 0.000000\n0.000000 0.000000 2.901479\nTa N\n1 1\ndirect\n0.333333 0.666667 0.500000 Ta\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"N"
],
"chemical_system": "N-Ta",
"density": 14.763851879979619,
"density_atomic": 0.09121098279584229,
"volume": 21.927183971656174,
"volume_molar": 6.6024294173864675,
"formula_full": "Ta1 N1",
"formula_reduced": "TaN",
"formula_anonymous": "AB",
"energy": -22.84421637,
"energy_per_atom": -11.422108185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.48321637,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.12e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.638000Z",
"spacegroup": 187
},
{
"id": "mp-1009720",
"created_at": "2022-09-04T14:43:18.162036Z",
"structure_string": "Rh1 N1\n1.0\n0.000000 2.176703 2.176703\n2.176703 0.000000 2.176703\n2.176703 2.176703 0.000000\nRh N\n1 1\ndirect\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rh",
"N"
],
"chemical_system": "N-Rh",
"density": 9.411988920822578,
"density_atomic": 0.0969622026312764,
"volume": 20.62659413385556,
"volume_molar": 6.210812663673423,
"formula_full": "Rh1 N1",
"formula_reduced": "RhN",
"formula_anonymous": "AB",
"energy": -14.13903804,
"energy_per_atom": -7.06951902,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.77803804,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0078388,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.325000Z",
"spacegroup": 225
},
{
"id": "mp-11552",
"created_at": "2022-09-04T14:47:28.842161Z",
"structure_string": "Ti1 Pt1\n1.0\n3.179305 0.000000 0.000000\n0.000000 3.179305 0.000000\n0.000000 0.000000 3.179305\nTi Pt\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Pt"
],
"chemical_system": "Pt-Ti",
"density": 12.553684487411036,
"density_atomic": 0.06223481695151984,
"volume": 32.13635225372279,
"volume_molar": 9.676481839243095,
"formula_full": "Ti1 Pt1",
"formula_reduced": "TiPt",
"formula_anonymous": "AB",
"energy": -15.53572001,
"energy_per_atom": -7.767860005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.53572001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001773,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:10.058000Z",
"spacegroup": 221
},
{
"id": "mp-1382591",
"created_at": "2022-09-04T14:43:14.499475Z",
"structure_string": "Pa1 V1\n1.0\n1.541910 -2.644531 0.000000\n1.541910 2.644531 0.000000\n0.000000 0.000000 4.699088\nPa V\n1 1\ndirect\n0.674861 0.325139 0.500000 Pa\n0.332568 0.667432 0.000000 V\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pa",
"V"
],
"chemical_system": "Pa-V",
"density": 12.218337219304471,
"density_atomic": 0.052188971053796156,
"volume": 38.32227307065336,
"volume_molar": 11.539106133731599,
"formula_full": "Pa1 V1",
"formula_reduced": "PaV",
"formula_anonymous": "AB",
"energy": -17.77375796,
"energy_per_atom": -8.88687898,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.77375796,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013021,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.933000Z",
"spacegroup": 187
},
{
"id": "mp-1001828",
"created_at": "2022-09-04T14:47:28.960721Z",
"structure_string": "W1 N1\n1.0\n0.000000 2.336981 2.336981\n2.336981 0.000000 2.336981\n2.336981 2.336981 0.000000\nW N\n1 1\ndirect\n0.000000 0.000000 0.000000 W\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"W",
"N"
],
"chemical_system": "N-W",
"density": 12.870113236711585,
"density_atomic": 0.07834917998167334,
"volume": 25.526750892195935,
"volume_molar": 7.686284350912976,
"formula_full": "W1 N1",
"formula_reduced": "WN",
"formula_anonymous": "AB",
"energy": -21.257235,
"energy_per_atom": -10.6286175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.896235,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0129959,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.315000Z",
"spacegroup": 216
},
{
"id": "mp-998899",
"created_at": "2022-09-04T14:47:29.001800Z",
"structure_string": "Y1 N1\n1.0\n1.682802 -2.914699 0.000000\n1.682802 2.914699 0.000000\n0.000000 0.000000 3.063359\nY N\n1 1\ndirect\n0.666667 0.333333 0.000000 Y\n0.000000 0.000000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"N"
],
"chemical_system": "N-Y",
"density": 5.686732689563026,
"density_atomic": 0.06655418553495511,
"volume": 30.050702054637487,
"volume_molar": 9.048477885492408,
"formula_full": "Y1 N1",
"formula_reduced": "YN",
"formula_anonymous": "AB",
"energy": -17.595224130000002,
"energy_per_atom": -8.797612065000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.23422413,
"band_gap": 0.0076,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0017347,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.336000Z",
"spacegroup": 187
},
{
"id": "mp-1057787",
"created_at": "2022-09-04T14:47:27.773762Z",
"structure_string": "K1 P1\n1.0\n-2.335702 2.414504 3.354271\n2.335702 -2.414504 3.354271\n2.335702 2.414504 -3.354271\nK P\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"P"
],
"chemical_system": "K-P",
"density": 1.5377668499883854,
"density_atomic": 0.0264317851239832,
"volume": 75.66647468639096,
"volume_molar": 22.783708068721158,
"formula_full": "K1 P1",
"formula_reduced": "KP",
"formula_anonymous": "AB",
"energy": -5.33013237,
"energy_per_atom": -2.665066185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.33013237,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9994857,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.359000Z",
"spacegroup": 71
},
{
"id": "mp-1094705",
"created_at": "2022-09-04T14:43:10.448012Z",
"structure_string": "Y1 Sn1\n1.0\n3.800305 0.000000 0.000000\n0.000000 3.800305 0.000000\n0.000000 0.000000 3.800305\nY Sn\n1 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Sn"
],
"chemical_system": "Sn-Y",
"density": 6.2813680912824,
"density_atomic": 0.0364396868776131,
"volume": 54.885213660513365,
"volume_molar": 16.52632411531432,
"formula_full": "Y1 Sn1",
"formula_reduced": "YSn",
"formula_anonymous": "AB",
"energy": -11.63414468,
"energy_per_atom": -5.81707234,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.63414468,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0126633,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.613000Z",
"spacegroup": 221
},
{
"id": "mp-13032",
"created_at": "2022-09-04T14:47:27.795693Z",
"structure_string": "Mg1 S1\n1.0\n0.000000 2.849066 2.849066\n2.849066 0.000000 2.849066\n2.849066 2.849066 0.000000\nMg S\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"S"
],
"chemical_system": "Mg-S",
"density": 2.0237627907067632,
"density_atomic": 0.04324067551782242,
"volume": 46.25274642565804,
"volume_molar": 13.92702747559498,
"formula_full": "Mg1 S1",
"formula_reduced": "MgS",
"formula_anonymous": "AB",
"energy": -9.06022963,
"energy_per_atom": -4.530114815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.55722963,
"band_gap": 3.5358,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001699,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.647000Z",
"spacegroup": 216
},
{
"id": "mp-11498",
"created_at": "2022-09-04T14:43:09.921725Z",
"structure_string": "Mg1 Tl1\n1.0\n3.691257 0.000000 0.000000\n0.000000 3.691257 0.000000\n0.000000 0.000000 3.691257\nMg Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Tl"
],
"chemical_system": "Mg-Tl",
"density": 7.5504040486949515,
"density_atomic": 0.039765563862977,
"volume": 50.29477280622854,
"volume_molar": 15.144110066566425,
"formula_full": "Mg1 Tl1",
"formula_reduced": "MgTl",
"formula_anonymous": "AB",
"energy": -4.03588904,
"energy_per_atom": -2.01794452,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.03588904,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009901,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:02.539000Z",
"spacegroup": 221
}
]
}