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=nelements&page=74",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=72",
"results": [
{
"id": "mp-1183306",
"created_at": "2022-09-04T14:42:54.657650Z",
"structure_string": "Al2 Rh6\n1.0\n2.732550 -4.732915 0.000000\n2.732550 4.732915 0.000000\n0.000000 0.000000 4.375965\nAl Rh\n2 6\ndirect\n0.333333 0.666667 0.750000 Al\n0.666667 0.333333 0.250000 Al\n0.167707 0.335415 0.250000 Rh\n0.664585 0.832293 0.250000 Rh\n0.167707 0.832293 0.250000 Rh\n0.832293 0.664585 0.750000 Rh\n0.335415 0.167707 0.750000 Rh\n0.832293 0.167707 0.750000 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"Rh"
],
"chemical_system": "Al-Rh",
"density": 9.84979607564759,
"density_atomic": 0.07067882635563785,
"volume": 113.18807077732217,
"volume_molar": 8.520431182173459,
"formula_full": "Al2 Rh6",
"formula_reduced": "AlRh3",
"formula_anonymous": "AB3",
"energy": -55.45564972,
"energy_per_atom": -6.931956215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.45564972,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003136,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.929000Z",
"spacegroup": 194
},
{
"id": "mp-983230",
"created_at": "2022-09-04T14:42:45.629872Z",
"structure_string": "Ga3 B1\n1.0\n3.959949 0.000000 0.000000\n0.000000 3.959949 0.000000\n0.000000 0.000000 3.959949\nGa B\n3 1\ndirect\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"B"
],
"chemical_system": "B-Ga",
"density": 5.8825214175785385,
"density_atomic": 0.06441562326141458,
"volume": 62.096736746099744,
"volume_molar": 9.348882235541925,
"formula_full": "Ga3 B1",
"formula_reduced": "Ga3B",
"formula_anonymous": "AB3",
"energy": -12.82728705,
"energy_per_atom": -3.2068217625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.82728705,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002588,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.147000Z",
"spacegroup": 221
},
{
"id": "mp-1239",
"created_at": "2022-09-04T14:42:46.787367Z",
"structure_string": "Sb12 Ir4\n1.0\n-4.697307 4.697307 4.697307\n4.697307 -4.697307 4.697307\n4.697307 4.697307 -4.697307\nSb Ir\n12 4\ndirect\n0.846032 0.660230 0.506262 Sb\n0.846032 0.339770 0.185803 Sb\n0.153968 0.660230 0.814197 Sb\n0.339770 0.493738 0.153968 Sb\n0.153968 0.339770 0.493738 Sb\n0.660230 0.814197 0.153968 Sb\n0.185803 0.846032 0.339770 Sb\n0.660230 0.506262 0.846032 Sb\n0.814197 0.153968 0.660230 Sb\n0.339770 0.185803 0.846032 Sb\n0.506262 0.846032 0.660230 Sb\n0.493738 0.153968 0.339770 Sb\n0.000000 0.000000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.500000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sb",
"Ir"
],
"chemical_system": "Ir-Sb",
"density": 8.931919428463367,
"density_atomic": 0.038593410241686374,
"volume": 414.57854850872246,
"volume_molar": 15.604064844975092,
"formula_full": "Sb12 Ir4",
"formula_reduced": "Sb3Ir",
"formula_anonymous": "AB3",
"energy": -92.72935301,
"energy_per_atom": -5.795584563125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.42535301,
"band_gap": 0.0536999999999991,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.71e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:52.468000Z",
"spacegroup": 204
},
{
"id": "mp-12712",
"created_at": "2022-09-04T14:42:50.172792Z",
"structure_string": "Zr6 Pd8\n1.0\n4.104472 -6.331310 0.000000\n4.104472 6.331310 0.000000\n-5.661824 0.000000 4.987578\nZr Pd\n6 8\ndirect\n0.396734 0.265402 0.004657 Zr\n0.004657 0.396734 0.265402 Zr\n0.265402 0.004657 0.396734 Zr\n0.603266 0.734598 0.995343 Zr\n0.995343 0.603266 0.734598 Zr\n0.734598 0.995343 0.603266 Zr\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.922706 0.761947 0.440553 Pd\n0.440553 0.922706 0.761947 Pd\n0.761947 0.440553 0.922706 Pd\n0.077294 0.238053 0.559447 Pd\n0.559447 0.077294 0.238053 Pd\n0.238053 0.559447 0.077294 Pd\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Zr",
"Pd"
],
"chemical_system": "Pd-Zr",
"density": 8.95992433881535,
"density_atomic": 0.05400792149040808,
"volume": 259.2212329905425,
"volume_molar": 11.150476807498592,
"formula_full": "Zr6 Pd8",
"formula_reduced": "Zr3Pd4",
"formula_anonymous": "A3B4",
"energy": -102.4513659,
"energy_per_atom": -7.3179547071428575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.4513659,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.98e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:52.113000Z",
"spacegroup": 148
},
{
"id": "mp-1173590",
"created_at": "2022-09-04T14:42:51.783794Z",
"structure_string": "Nb4 Se6\n1.0\n3.349215 0.000000 0.000000\n-3.349215 6.896093 1.931015\n0.000000 2.565508 10.007831\nNb Se\n4 6\ndirect\n0.012368 0.012368 0.585508 Nb\n0.027014 0.527014 0.747110 Nb\n0.993980 0.993980 0.945081 Nb\n0.003608 0.503608 0.093857 Nb\n0.250613 0.750613 0.192690 Se\n0.681454 0.681454 0.862316 Se\n0.699100 0.699100 0.526505 Se\n0.283688 0.283688 0.314412 Se\n0.691922 0.191922 0.028953 Se\n0.689585 0.189585 0.703568 Se\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Nb",
"Se"
],
"chemical_system": "Nb-Se",
"density": 6.5428632974240895,
"density_atomic": 0.04660837314098083,
"volume": 214.55372342115518,
"volume_molar": 12.920727230243052,
"formula_full": "Nb4 Se6",
"formula_reduced": "Nb2Se3",
"formula_anonymous": "A2B3",
"energy": -70.01280231,
"energy_per_atom": -7.001280231,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.18080231,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0053524,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.647000Z",
"spacegroup": 6
},
{
"id": "mp-979269",
"created_at": "2022-09-04T14:42:55.376950Z",
"structure_string": "Tl3 Cd1\n1.0\n4.903289 0.000000 0.000000\n0.000000 4.903289 0.000000\n0.000000 0.000000 4.903289\nTl Cd\n3 1\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"Cd"
],
"chemical_system": "Cd-Tl",
"density": 10.220225878748494,
"density_atomic": 0.03393106704734925,
"volume": 117.88606572313752,
"volume_molar": 17.748162035683634,
"formula_full": "Tl3 Cd1",
"formula_reduced": "Tl3Cd",
"formula_anonymous": "AB3",
"energy": -7.86413346,
"energy_per_atom": -1.966033365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.86413346,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0302426,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.612000Z",
"spacegroup": 221
},
{
"id": "mp-1355579",
"created_at": "2022-09-04T14:42:50.138244Z",
"structure_string": "Fe12 O24\n1.0\n2.979946 -5.161418 0.000000\n2.979946 5.161418 0.000000\n0.000000 0.000000 14.363185\nFe O\n12 24\ndirect\n0.990639 0.495319 0.167437 Fe\n0.504681 0.009361 0.167437 Fe\n0.656461 0.828230 0.499339 Fe\n0.504681 0.495319 0.167437 Fe\n0.171770 0.343539 0.499339 Fe\n0.000000 0.000000 0.666226 Fe\n0.000000 0.000000 0.282252 Fe\n0.335243 0.167622 0.834541 Fe\n0.171770 0.828230 0.499339 Fe\n0.832378 0.664757 0.834541 Fe\n0.832378 0.167622 0.834541 Fe\n0.333333 0.666667 0.955225 Fe\n0.368278 0.184139 0.099857 O\n0.666667 0.333333 0.244738 O\n0.815861 0.631722 0.099857 O\n0.815861 0.184139 0.099857 O\n0.025740 0.512870 0.437561 O\n0.174745 0.825255 0.237222 O\n0.333333 0.666667 0.576675 O\n0.174745 0.349490 0.237222 O\n0.333333 0.666667 0.089733 O\n0.487130 0.974260 0.437561 O\n0.487130 0.512870 0.437561 O\n0.650510 0.825255 0.237222 O\n0.713453 0.856727 0.746896 O\n0.858256 0.141744 0.576522 O\n0.858256 0.716513 0.576522 O\n0.000000 0.000000 0.902729 O\n0.000000 0.000000 0.418263 O\n0.143273 0.286547 0.746896 O\n0.143273 0.856727 0.746896 O\n0.283487 0.141744 0.576522 O\n0.500365 0.499635 0.903271 O\n0.500365 0.000729 0.903271 O\n0.666667 0.333333 0.766945 O\n0.999271 0.499635 0.903271 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 3.9617154738142726,
"density_atomic": 0.08147874377915504,
"volume": 441.8330269987544,
"volume_molar": 7.39105744723161,
"formula_full": "Fe12 O24",
"formula_reduced": "FeO2",
"formula_anonymous": "AB2",
"energy": -261.5259633,
"energy_per_atom": -7.2646100916666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -217.9659633,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 48.0100029,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.534000Z",
"spacegroup": 156
},
{
"id": "mp-1094780",
"created_at": "2022-09-04T14:42:46.079379Z",
"structure_string": "Hf2 Mg2\n1.0\n3.160380 0.000000 0.000000\n0.000000 5.096788 0.000000\n0.000000 0.000000 5.372480\nHf Mg\n2 2\ndirect\n0.000000 0.750000 0.182806 Hf\n0.000000 0.250000 0.817194 Hf\n0.500000 0.250000 0.316787 Mg\n0.500000 0.750000 0.683213 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Mg"
],
"chemical_system": "Hf-Mg",
"density": 7.782616929645462,
"density_atomic": 0.04622206134044781,
"volume": 86.53876274660422,
"volume_molar": 13.02871526140737,
"formula_full": "Hf2 Mg2",
"formula_reduced": "HfMg",
"formula_anonymous": "AB",
"energy": -22.27651127,
"energy_per_atom": -5.5691278175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.27651127,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002565,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.700000Z",
"spacegroup": 51
},
{
"id": "mp-1186420",
"created_at": "2022-09-04T14:42:50.144594Z",
"structure_string": "Pa2 Fe6\n1.0\n2.692472 -4.663499 0.000000\n2.692472 4.663499 0.000000\n0.000000 0.000000 4.701016\nPa Fe\n2 6\ndirect\n0.666667 0.333333 0.250000 Pa\n0.333333 0.666667 0.750000 Pa\n0.844213 0.155787 0.750000 Fe\n0.311575 0.155787 0.750000 Fe\n0.844213 0.688425 0.750000 Fe\n0.155787 0.844213 0.250000 Fe\n0.688425 0.844213 0.250000 Fe\n0.155787 0.311575 0.250000 Fe\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pa",
"Fe"
],
"chemical_system": "Fe-Pa",
"density": 11.212432720043605,
"density_atomic": 0.06776495877016075,
"volume": 118.0551149914176,
"volume_molar": 8.886806498953787,
"formula_full": "Pa2 Fe6",
"formula_reduced": "PaFe3",
"formula_anonymous": "AB3",
"energy": -69.89201924,
"energy_per_atom": -8.736502405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.89201924,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.6697888,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.072000Z",
"spacegroup": 194
},
{
"id": "mp-24237",
"created_at": "2022-09-04T14:42:54.691307Z",
"structure_string": "Sc1 H2\n1.0\n0.000000 2.390000 2.390000\n2.390000 0.000000 2.390000\n2.390000 2.390000 0.000000\nSc H\n1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750000 0.750000 0.750000 H\n0.250000 0.250000 0.250000 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sc",
"H"
],
"chemical_system": "H-Sc",
"density": 2.8566861422269403,
"density_atomic": 0.10987466304187711,
"volume": 27.303838000000002,
"volume_molar": 5.48091852414123,
"formula_full": "Sc1 H2",
"formula_reduced": "ScH2",
"formula_anonymous": "AB2",
"energy": -15.47014166,
"energy_per_atom": -5.156713886666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.11214166,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001352,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.103000Z",
"spacegroup": 225
},
{
"id": "mp-1002206",
"created_at": "2022-09-04T14:42:50.095277Z",
"structure_string": "Si1 C1\n1.0\n0.000000 2.025100 2.025100\n2.025100 0.000000 2.025100\n2.025100 2.025100 0.000000\nSi C\n1 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Si",
"C"
],
"chemical_system": "C-Si",
"density": 4.0085093080331395,
"density_atomic": 0.12040945176394754,
"volume": 16.609991746502004,
"volume_molar": 5.001385415993665,
"formula_full": "Si1 C1",
"formula_reduced": "SiC",
"formula_anonymous": "AB",
"energy": -13.57604631,
"energy_per_atom": -6.788023155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.57604631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001676,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.647000Z",
"spacegroup": 225
},
{
"id": "mp-1183278",
"created_at": "2022-09-04T14:42:45.118328Z",
"structure_string": "Al1 Pb3\n1.0\n-2.411413 2.411413 5.020753\n2.411413 -2.411413 5.020753\n2.411413 2.411413 -5.020753\nAl Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.750000 0.250000 0.500000 Pb\n0.250000 0.750000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Pb"
],
"chemical_system": "Al-Pb",
"density": 9.222350772133199,
"density_atomic": 0.03425215871975402,
"volume": 116.7809606608271,
"volume_molar": 17.581784579688087,
"formula_full": "Al1 Pb3",
"formula_reduced": "AlPb3",
"formula_anonymous": "AB3",
"energy": -14.25913154,
"energy_per_atom": -3.564782885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.25913154,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030423,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.668000Z",
"spacegroup": 139
}
]
}