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=structure_string&page=165",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=structure_string&page=163",
"results": [
{
"id": "mp-661",
"created_at": "2022-09-04T14:45:38.267279Z",
"structure_string": "Al2 N2\n1.0\n1.564294 -2.709437 0.000000\n1.564294 2.709437 0.000000\n0.000000 0.000000 5.016955\nAl N\n2 2\ndirect\n0.666667 0.333333 0.499287 Al\n0.333333 0.666667 0.999287 Al\n0.666667 0.333333 0.880713 N\n0.333333 0.666667 0.380713 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"N"
],
"chemical_system": "Al-N",
"density": 3.200889713142437,
"density_atomic": 0.09405726654690266,
"volume": 42.52728307818043,
"volume_molar": 6.4026321209292165,
"formula_full": "Al2 N2",
"formula_reduced": "AlN",
"formula_anonymous": "AB",
"energy": -30.50172953,
"energy_per_atom": -7.6254323825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.77972953,
"band_gap": 4.0467,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001187,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:11.719000Z",
"spacegroup": 186
},
{
"id": "mp-13178",
"created_at": "2022-09-04T14:46:06.053075Z",
"structure_string": "Al2 N2\n1.0\n1.656058 -2.868376 0.000000\n1.656058 2.868376 0.000000\n0.000000 0.000000 4.187563\nAl N\n2 2\ndirect\n0.666667 0.333333 0.250000 Al\n0.333333 0.666667 0.750000 Al\n0.666667 0.333333 0.750000 N\n0.333333 0.666667 0.250000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"N"
],
"chemical_system": "Al-N",
"density": 3.421648366361545,
"density_atomic": 0.10054419904042493,
"volume": 39.78349858246675,
"volume_molar": 5.989545709721881,
"formula_full": "Al2 N2",
"formula_reduced": "AlN",
"formula_anonymous": "AB",
"energy": -30.04056861,
"energy_per_atom": -7.5101421525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.31856861,
"band_gap": 3.268700000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.001155,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.084000Z",
"spacegroup": 194
},
{
"id": "mp-1102001",
"created_at": "2022-09-04T14:41:45.055841Z",
"structure_string": "Al2 N2 F8\n1.0\n-2.523347 2.523347 6.208020\n2.523347 -2.523347 6.208020\n2.523347 2.523347 -6.208020\nAl N F\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.250000 0.750000 0.500000 N\n0.750000 0.250000 0.500000 N\n0.354185 0.354185 0.000000 F\n0.854185 0.854185 0.000000 F\n0.645815 0.645815 0.000000 F\n0.145815 0.145815 0.000000 F\n0.704083 0.204083 0.908166 F\n0.295917 0.795917 0.091834 F\n0.204083 0.295917 0.500000 F\n0.795917 0.704083 0.500000 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Al",
"N",
"F"
],
"chemical_system": "Al-F-N",
"density": 2.457143558607135,
"density_atomic": 0.0758951796649703,
"volume": 158.11280838878685,
"volume_molar": 7.9348132339681925,
"formula_full": "Al2 N2 F8",
"formula_reduced": "AlNF4",
"formula_anonymous": "ABC4",
"energy": -59.80034659,
"energy_per_atom": -4.983362215833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.10434659,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9987614,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.569000Z",
"spacegroup": 140
},
{
"id": "mp-1104358",
"created_at": "2022-09-04T14:45:27.551688Z",
"structure_string": "Al2 N6 Cl6\n1.0\n4.701386 0.000000 0.000000\n0.200284 7.095565 0.000000\n1.166472 0.587509 9.257875\nAl N Cl\n2 6 6\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.727013 0.707793 0.012609 N\n0.272987 0.292207 0.987391 N\n0.281536 0.190816 0.466971 N\n0.718464 0.809184 0.533029 N\n0.031513 0.990079 0.706450 N\n0.968487 0.009921 0.293550 N\n0.992791 0.502279 0.764999 Cl\n0.007209 0.497721 0.235001 Cl\n0.571427 0.240209 0.049114 Cl\n0.428573 0.759791 0.950886 Cl\n0.530576 0.234642 0.561971 Cl\n0.469424 0.765358 0.438029 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"N",
"Cl"
],
"chemical_system": "Al-Cl-N",
"density": 1.8857625482981326,
"density_atomic": 0.04533189044168153,
"volume": 308.8333591119631,
"volume_molar": 13.284556856827647,
"formula_full": "Al2 N6 Cl6",
"formula_reduced": "Al(NCl)3",
"formula_anonymous": "AB3C3",
"energy": -58.89647467,
"energy_per_atom": -4.206891047857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.21247467,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.999996,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:59.547000Z",
"spacegroup": 2
},
{
"id": "mp-1182975",
"created_at": "2022-09-04T14:46:00.755435Z",
"structure_string": "Al2 N8 Cl8\n1.0\n5.000731 8.307699 0.000000\n-5.000731 8.307699 0.000000\n0.000000 0.551343 4.036363\nAl N Cl\n2 8 8\ndirect\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.604233 0.604233 0.149357 N\n0.395767 0.395767 0.850643 N\n0.096022 0.096022 0.208826 N\n0.903978 0.903978 0.791174 N\n0.500000 0.000000 0.500000 N\n0.000000 0.500000 0.500000 N\n0.299643 0.700357 0.000000 N\n0.700357 0.299643 0.000000 N\n0.744408 0.255592 0.500000 Cl\n0.255592 0.744408 0.500000 Cl\n0.625272 0.625272 0.526732 Cl\n0.374728 0.374728 0.473268 Cl\n0.115581 0.115581 0.803495 Cl\n0.884419 0.884419 0.196505 Cl\n0.000000 0.500000 0.000000 Cl\n0.500000 0.000000 0.000000 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Al",
"N",
"Cl"
],
"chemical_system": "Al-Cl-N",
"density": 2.226282292267435,
"density_atomic": 0.05367079722984996,
"volume": 335.3779136708814,
"volume_molar": 11.22051668845098,
"formula_full": "Al2 N8 Cl8",
"formula_reduced": "Al(NCl)4",
"formula_anonymous": "AB4C4",
"energy": -72.07550448,
"energy_per_atom": -4.004194693333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.16350448,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.7942827,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:18.782000Z",
"spacegroup": 12
},
{
"id": "mp-1215079",
"created_at": "2022-09-04T14:48:31.118781Z",
"structure_string": "Al2 N8 F24\n1.0\n0.000000 10.530466 10.530466\n10.530466 0.000000 10.530466\n10.530466 10.530466 0.000000\nAl N F\n2 8 24\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Al\n0.374105 0.374105 0.374105 N\n0.374105 0.374105 0.877685 N\n0.374105 0.877685 0.374105 N\n0.875895 0.875895 0.372315 N\n0.875895 0.875895 0.875895 N\n0.877685 0.374105 0.374105 N\n0.875895 0.372315 0.875895 N\n0.372315 0.875895 0.875895 N\n0.929751 0.307630 0.307630 F\n0.307630 0.929751 0.454989 F\n0.307630 0.454989 0.929751 F\n0.307630 0.929751 0.307630 F\n0.320249 0.942370 0.795011 F\n0.320249 0.942370 0.942370 F\n0.454989 0.307630 0.307630 F\n0.454989 0.307630 0.929751 F\n0.942370 0.320249 0.942370 F\n0.942370 0.320249 0.795011 F\n0.929751 0.307630 0.454989 F\n0.942370 0.795011 0.942370 F\n0.942370 0.795011 0.320249 F\n0.307630 0.454989 0.307630 F\n0.795011 0.942370 0.320249 F\n0.795011 0.942370 0.942370 F\n0.307630 0.307630 0.929751 F\n0.454989 0.929751 0.307630 F\n0.307630 0.307630 0.454989 F\n0.929751 0.454989 0.307630 F\n0.795011 0.320249 0.942370 F\n0.942370 0.942370 0.320249 F\n0.320249 0.795011 0.942370 F\n0.942370 0.942370 0.795011 F\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Al",
"N",
"F"
],
"chemical_system": "Al-F-N",
"density": 0.44223346299307065,
"density_atomic": 0.014558148686118651,
"volume": 2335.461790716519,
"volume_molar": 41.36611659793099,
"formula_full": "Al2 N8 F24",
"formula_reduced": "Al(NF3)4",
"formula_anonymous": "AB4C12",
"energy": -138.84638216,
"energy_per_atom": -4.083717122352941,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.75838216,
"band_gap": 0.0030000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9970947,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:50.591000Z",
"spacegroup": 227
},
{
"id": "mp-1194505",
"created_at": "2022-09-04T14:46:09.615965Z",
"structure_string": "Al2 Ni18 B16\n1.0\n3.560470 -4.055555 0.000000\n3.560470 4.055555 0.000000\n0.000000 0.000000 10.740959\nAl Ni B\n2 18 16\ndirect\n0.917722 0.082278 0.750000 Al\n0.082278 0.917722 0.250000 Al\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.712700 0.287300 0.919037 Ni\n0.287300 0.712700 0.080963 Ni\n0.712700 0.287300 0.580963 Ni\n0.287300 0.712700 0.419037 Ni\n0.398169 0.049522 0.750000 Ni\n0.049522 0.398169 0.250000 Ni\n0.601831 0.950478 0.250000 Ni\n0.950478 0.601831 0.750000 Ni\n0.623016 0.758842 0.885733 Ni\n0.758842 0.623016 0.114267 Ni\n0.623016 0.758842 0.614267 Ni\n0.758842 0.623016 0.385733 Ni\n0.376984 0.241158 0.114267 Ni\n0.241158 0.376984 0.885733 Ni\n0.376984 0.241158 0.385733 Ni\n0.241158 0.376984 0.614267 Ni\n0.569856 0.430144 0.750000 B\n0.430144 0.569856 0.250000 B\n0.354878 0.645122 0.750000 B\n0.645122 0.354878 0.250000 B\n0.779784 0.220216 0.379722 B\n0.220216 0.779784 0.620278 B\n0.779784 0.220216 0.120278 B\n0.220216 0.779784 0.879722 B\n0.383013 0.041078 0.948627 B\n0.041078 0.383013 0.051373 B\n0.383013 0.041078 0.551373 B\n0.041078 0.383013 0.448627 B\n0.616987 0.958922 0.051373 B\n0.958922 0.616987 0.948627 B\n0.616987 0.958922 0.448627 B\n0.958922 0.616987 0.551373 B\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Al",
"Ni",
"B"
],
"chemical_system": "Al-B-Ni",
"density": 6.8704836939709955,
"density_atomic": 0.11605712822006761,
"volume": 310.192062754963,
"volume_molar": 5.188945179292057,
"formula_full": "Al2 Ni18 B16",
"formula_reduced": "AlNi9B8",
"formula_anonymous": "AB8C9",
"energy": -228.70690877,
"energy_per_atom": -6.3529696880555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -228.70690877,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0138725,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.396000Z",
"spacegroup": 63
},
{
"id": "mp-1183155",
"created_at": "2022-09-04T14:43:50.797622Z",
"structure_string": "Al2 Ni1 Os1\n1.0\n0.000000 2.964103 2.964103\n2.964103 0.000000 2.964103\n2.964103 2.964103 0.000000\nAl Ni Os\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Al\n0.250000 0.250000 0.250000 Al\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Ni",
"Os"
],
"chemical_system": "Al-Ni-Os",
"density": 9.656485953419496,
"density_atomic": 0.076798037622726,
"volume": 52.08466418960065,
"volume_molar": 7.8415294796776625,
"formula_full": "Al2 Ni1 Os1",
"formula_reduced": "Al2NiOs",
"formula_anonymous": "ABC2",
"energy": -26.64264122,
"energy_per_atom": -6.660660305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.64264122,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.211000Z",
"spacegroup": 225
},
{
"id": "mp-1228426",
"created_at": "2022-09-04T14:40:33.549648Z",
"structure_string": "Al2 Ni1 Pt1\n1.0\n2.998999 0.000000 0.000000\n0.000000 2.998999 0.000000\n0.000000 0.000000 5.983241\nAl Ni Pt\n2 1 1\ndirect\n0.500000 0.500000 0.230157 Al\n0.500000 0.500000 0.769843 Al\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Ni",
"Pt"
],
"chemical_system": "Al-Ni-Pt",
"density": 9.496084757033108,
"density_atomic": 0.07433115021569389,
"volume": 53.81323964976746,
"volume_molar": 8.10177259806282,
"formula_full": "Al2 Ni1 Pt1",
"formula_reduced": "Al2NiPt",
"formula_anonymous": "ABC2",
"energy": -22.5151291,
"energy_per_atom": -5.628782275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.5151291,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.2e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.849000Z",
"spacegroup": 123
},
{
"id": "mp-1096538",
"created_at": "2022-09-04T14:46:00.002287Z",
"structure_string": "Al2 Ni1 Pt1\n1.0\n-4.677771 5.733713 7.852329\n4.677771 -5.733713 7.852329\n4.677771 5.733713 -7.852329\nAl Ni Pt\n2 1 1\ndirect\n0.500000 0.250699 0.750699 Al\n0.500000 0.749301 0.249301 Al\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Ni",
"Pt"
],
"chemical_system": "Al-Ni-Pt",
"density": 0.606597105593812,
"density_atomic": 0.0047481737716066974,
"volume": 842.429151165306,
"volume_molar": 126.83067321611979,
"formula_full": "Al2 Ni1 Pt1",
"formula_reduced": "Al2NiPt",
"formula_anonymous": "ABC2",
"energy": -12.86163237,
"energy_per_atom": -3.2154080925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.86163237,
"band_gap": 0.5222000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5514811,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.309000Z",
"spacegroup": 71
},
{
"id": "mp-1248407",
"created_at": "2022-09-04T14:47:57.468733Z",
"structure_string": "Al2 Ni1 Pt1\n1.0\n-8.051024 0.068749 -4.658197\n-9.226010 0.304786 6.708140\n-5.964923 10.283409 0.889141\nAl Ni Pt\n2 1 1\ndirect\n0.750460 0.000035 0.000049 Al\n0.249563 0.999965 0.999938 Al\n0.999977 0.999994 0.999999 Ni\n0.500002 0.000007 0.000014 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Ni",
"Pt"
],
"chemical_system": "Al-Ni-Pt",
"density": 0.5190666617247884,
"density_atomic": 0.004063024182260834,
"volume": 984.4883565950709,
"volume_molar": 148.21818649991476,
"formula_full": "Al2 Ni1 Pt1",
"formula_reduced": "Al2NiPt",
"formula_anonymous": "ABC2",
"energy": -12.87859851,
"energy_per_atom": -3.2196496275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.87859851,
"band_gap": 0.5021,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4519516,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.722000Z",
"spacegroup": 2
},
{
"id": "mp-867775",
"created_at": "2022-09-04T14:46:13.427224Z",
"structure_string": "Al2 Ni1 Ru1\n1.0\n0.000000 2.942245 2.942245\n2.942245 0.000000 2.942245\n2.942245 2.942245 0.000000\nAl Ni Ru\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Al\n0.250000 0.250000 0.250000 Al\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Ni",
"Ru"
],
"chemical_system": "Al-Ni-Ru",
"density": 6.966921686835177,
"density_atomic": 0.07852238735448001,
"volume": 50.94088622067072,
"volume_molar": 7.669329681500588,
"formula_full": "Al2 Ni1 Ru1",
"formula_reduced": "Al2NiRu",
"formula_anonymous": "ABC2",
"energy": -25.31922277,
"energy_per_atom": -6.3298056925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.31922277,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.15e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.705000Z",
"spacegroup": 225
}
]
}