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=formula_anonymous&page=12156",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=12154",
"results": [
{
"id": "mp-1519014",
"created_at": "2022-09-04T14:41:25.127760Z",
"structure_string": "Ca1 Tb1 Eu1 Sb1 O6\n1.0\n0.000000 -4.187474 -4.187474\n4.187474 0.000000 -4.187474\n4.187474 -4.187474 0.000000\nCa Tb Eu Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Tb\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Sb\n0.763038 0.236962 0.236962 O\n0.236962 0.763038 0.763038 O\n0.763038 0.236962 0.763038 O\n0.236962 0.763038 0.236962 O\n0.763038 0.763038 0.236962 O\n0.236962 0.236962 0.763038 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Tb",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ca-Eu-O-Sb-Tb",
"density": 6.430786569449387,
"density_atomic": 0.06809475062739156,
"volume": 146.85419812635945,
"volume_molar": 8.843766523138648,
"formula_full": "Ca1 Tb1 Eu1 Sb1 O6",
"formula_reduced": "CaTbEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -80.23325261,
"energy_per_atom": -8.023325261,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.11125261,
"band_gap": 0.1396000000000006,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.344000Z",
"spacegroup": 216
},
{
"id": "mp-1521380",
"created_at": "2022-09-04T14:41:20.495009Z",
"structure_string": "Eu1 Zn1 Bi1 W1 O6\n1.0\n0.000000 -4.038098 -4.038098\n4.038098 -0.000000 -4.038098\n4.038098 -4.038098 0.000000\nEu Zn Bi W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n-0.000000 0.000000 -0.000000 Zn\n0.750000 0.750000 0.750000 Bi\n0.500000 0.500000 0.500000 W\n0.742383 0.257617 0.257617 O\n0.257617 0.742383 0.742383 O\n0.742383 0.257617 0.742383 O\n0.257617 0.742383 0.257617 O\n0.742383 0.742383 0.257617 O\n0.257617 0.257617 0.742383 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Eu",
"Zn",
"Bi",
"W",
"O"
],
"chemical_system": "Bi-Eu-O-W-Zn",
"density": 8.904509027868729,
"density_atomic": 0.07593455298143308,
"volume": 131.69235357775955,
"volume_molar": 7.930698902609575,
"formula_full": "Eu1 Zn1 Bi1 W1 O6",
"formula_reduced": "EuZnBiWO6",
"formula_anonymous": "ABCDE6",
"energy": -78.36609870000001,
"energy_per_atom": -7.836609870000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.8060987,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.6390558,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.196000Z",
"spacegroup": 216
},
{
"id": "mp-1516381",
"created_at": "2022-09-04T14:41:22.584878Z",
"structure_string": "K1 Nd1 Hf1 Sn1 O6\n1.0\n0.000000 -4.101718 -4.101718\n4.101718 0.000000 -4.101718\n4.101718 -4.101718 0.000000\nK Nd Hf Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Nd\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Sn\n0.749794 0.250206 0.250206 O\n0.250206 0.749794 0.749794 O\n0.749794 0.250206 0.749794 O\n0.250206 0.749794 0.250206 O\n0.749794 0.749794 0.250206 O\n0.250206 0.250206 0.749794 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Nd",
"Hf",
"Sn",
"O"
],
"chemical_system": "Hf-K-Nd-O-Sn",
"density": 6.936632142739252,
"density_atomic": 0.07245570867969407,
"volume": 138.01535009763185,
"volume_molar": 8.311478653286187,
"formula_full": "K1 Nd1 Hf1 Sn1 O6",
"formula_reduced": "KNdHfSnO6",
"formula_anonymous": "ABCDE6",
"energy": -79.25861872,
"energy_per_atom": -7.9258618720000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.13661872,
"band_gap": 3.3158,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.871000Z",
"spacegroup": 216
},
{
"id": "mp-1517356",
"created_at": "2022-09-04T14:41:24.147609Z",
"structure_string": "Ba1 Sr1 Ca1 Mn1 O6\n1.0\n0.000000 -4.165160 -4.165160\n4.165160 0.000000 -4.165160\n4.165160 -4.165160 -0.000000\nBa Sr Ca Mn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Mn\n0.729062 0.270938 0.270938 O\n0.270938 0.729062 0.729062 O\n0.729062 0.270938 0.729062 O\n0.270938 0.729062 0.270938 O\n0.729062 0.729062 0.270938 O\n0.270938 0.270938 0.729062 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Ca",
"Mn",
"O"
],
"chemical_system": "Ba-Ca-Mn-O-Sr",
"density": 4.779418110054052,
"density_atomic": 0.06919503563522937,
"volume": 144.5190382257522,
"volume_molar": 8.703139906953005,
"formula_full": "Ba1 Sr1 Ca1 Mn1 O6",
"formula_reduced": "BaSrCaMnO6",
"formula_anonymous": "ABCDE6",
"energy": -69.17737484,
"energy_per_atom": -6.917737484,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.38737484,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.225000Z",
"spacegroup": 216
},
{
"id": "mp-1518464",
"created_at": "2022-09-04T14:41:22.160888Z",
"structure_string": "Ba1 Na1 Eu1 W1 O6\n1.0\n0.000000 -4.157581 -4.157581\n4.157581 -0.000000 -4.157581\n4.157581 -4.157581 0.000000\nBa Na Eu W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 -0.000000 Na\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 W\n0.733366 0.266634 0.266634 O\n0.266634 0.733366 0.733366 O\n0.733366 0.266634 0.733366 O\n0.266634 0.733366 0.266634 O\n0.733366 0.733366 0.266634 O\n0.266634 0.266634 0.733366 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Eu",
"W",
"O"
],
"chemical_system": "Ba-Eu-Na-O-W",
"density": 6.840763855067894,
"density_atomic": 0.06957414003966302,
"volume": 143.73156454825275,
"volume_molar": 8.65571713364604,
"formula_full": "Ba1 Na1 Eu1 W1 O6",
"formula_reduced": "BaNaEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -82.10807173,
"energy_per_atom": -8.210807173000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.54807173,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9999996,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.544000Z",
"spacegroup": 216
},
{
"id": "mp-1521181",
"created_at": "2022-09-04T14:41:15.197190Z",
"structure_string": "Na1 La1 Zr1 Sn1 O6\n1.0\n0.000000 -4.116752 -4.116752\n4.116752 0.000000 -4.116752\n4.116752 -4.116752 -0.000000\nNa La Zr Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Zr\n-0.000000 -0.000000 0.000000 Sn\n0.752254 0.247746 0.247746 O\n0.247746 0.752254 0.752254 O\n0.752254 0.247746 0.752254 O\n0.247746 0.752254 0.247746 O\n0.752254 0.752254 0.247746 O\n0.247746 0.247746 0.752254 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"La",
"Zr",
"Sn",
"O"
],
"chemical_system": "La-Na-O-Sn-Zr",
"density": 5.567227978079895,
"density_atomic": 0.07166479928332288,
"volume": 139.5385196080093,
"volume_molar": 8.403206065214519,
"formula_full": "Na1 La1 Zr1 Sn1 O6",
"formula_reduced": "NaLaZrSnO6",
"formula_anonymous": "ABCDE6",
"energy": -77.84627071,
"energy_per_atom": -7.784627071,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.72427071,
"band_gap": 2.6331,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.991000Z",
"spacegroup": 216
},
{
"id": "mp-1044883",
"created_at": "2022-09-04T14:41:15.994456Z",
"structure_string": "La2 Mg2 Ti2 Cr2 O12\n1.0\n5.505276 0.000000 0.000000\n0.000000 5.370028 0.000000\n0.000000 5.359387 7.710195\nLa Mg Ti Cr O\n2 2 2 2 12\ndirect\n0.213476 0.742425 0.250456 La\n0.786524 0.742425 0.750456 La\n0.703259 0.265140 0.252035 Mg\n0.296741 0.265140 0.752035 Mg\n0.256379 0.502181 0.998814 Ti\n0.743621 0.502181 0.498814 Ti\n0.248873 0.999106 0.500848 Cr\n0.751127 0.999106 0.000848 Cr\n0.706350 0.177327 0.747129 O\n0.468685 0.731701 0.046766 O\n0.473273 0.332378 0.449067 O\n0.948232 0.628220 0.058048 O\n0.941313 0.250565 0.443492 O\n0.228533 0.870959 0.753343 O\n0.293650 0.177327 0.247129 O\n0.531315 0.731701 0.546766 O\n0.526727 0.332378 0.949067 O\n0.051768 0.628220 0.558048 O\n0.058687 0.250565 0.943492 O\n0.771467 0.870959 0.253343 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Mg",
"Ti",
"Cr",
"O"
],
"chemical_system": "Cr-La-Mg-O-Ti",
"density": 5.23163178519203,
"density_atomic": 0.08774229442190377,
"volume": 227.94024400400508,
"volume_molar": 6.8634411713043235,
"formula_full": "La2 Mg2 Ti2 Cr2 O12",
"formula_reduced": "LaMgTiCrO6",
"formula_anonymous": "ABCDE6",
"energy": -171.64785478,
"energy_per_atom": -8.582392739,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -159.40585478,
"band_gap": 2.277100000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0002758,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.096000Z",
"spacegroup": 7
},
{
"id": "mp-1522651",
"created_at": "2022-09-04T14:41:16.018020Z",
"structure_string": "Sr1 Pr1 Gd1 Co1 O6\n1.0\n0.000000 -4.040292 -4.040292\n4.040292 0.000000 -4.040292\n4.040292 -4.040292 0.000000\nSr Pr Gd Co O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Co\n0.770440 0.229560 0.229560 O\n0.229560 0.770440 0.770440 O\n0.770440 0.229560 0.770440 O\n0.229560 0.770440 0.229560 O\n0.770440 0.770440 0.229560 O\n0.229560 0.229560 0.770440 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Pr",
"Gd",
"Co",
"O"
],
"chemical_system": "Co-Gd-O-Pr-Sr",
"density": 6.806800621606715,
"density_atomic": 0.07581091591021112,
"volume": 131.90712551004916,
"volume_molar": 7.943632770685029,
"formula_full": "Sr1 Pr1 Gd1 Co1 O6",
"formula_reduced": "SrPrGdCoO6",
"formula_anonymous": "ABCDE6",
"energy": -84.39845250000002,
"energy_per_atom": -8.439845250000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.6384525,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.916000Z",
"spacegroup": 216
},
{
"id": "mp-9239",
"created_at": "2022-09-04T14:41:15.879225Z",
"structure_string": "Na2 La2 Mg2 Te2 O12\n1.0\n5.599857 0.000000 0.000000\n0.000000 5.625650 0.000000\n0.000000 0.036563 7.946026\nNa La Mg Te O\n2 2 2 2 12\ndirect\n0.250000 0.765399 0.499170 Na\n0.750000 0.234601 0.500830 Na\n0.250000 0.754566 0.001829 La\n0.750000 0.245434 0.998171 La\n0.750000 0.748131 0.731401 Mg\n0.250000 0.251869 0.268599 Mg\n0.250000 0.255603 0.744150 Te\n0.750000 0.744397 0.255850 Te\n0.250000 0.187616 0.993540 O\n0.750000 0.812384 0.006460 O\n0.250000 0.335197 0.513806 O\n0.750000 0.664803 0.486194 O\n0.496076 0.016771 0.732377 O\n0.996076 0.983229 0.267623 O\n0.503924 0.983229 0.267623 O\n0.003924 0.016771 0.732377 O\n0.508791 0.504063 0.196799 O\n0.008791 0.495937 0.803201 O\n0.491209 0.495937 0.803201 O\n0.991209 0.504063 0.196799 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Na",
"La",
"Mg",
"Te",
"O"
],
"chemical_system": "La-Mg-Na-O-Te",
"density": 5.436856343919518,
"density_atomic": 0.07989698076544234,
"volume": 250.32235021139314,
"volume_molar": 7.537382141735126,
"formula_full": "Na2 La2 Mg2 Te2 O12",
"formula_reduced": "NaLaMgTeO6",
"formula_anonymous": "ABCDE6",
"energy": -133.64422796,
"energy_per_atom": -6.682211398,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.40022796,
"band_gap": 2.6193,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.82e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.876000Z",
"spacegroup": 11
},
{
"id": "mp-1516601",
"created_at": "2022-09-04T14:41:21.677121Z",
"structure_string": "Ba1 Ca1 Dy1 Nb1 O6\n1.0\n0.000000 -4.233424 -4.233424\n4.233424 0.000000 -4.233424\n4.233424 -4.233424 0.000000\nBa Ca Dy Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n-0.000000 0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 Nb\n0.737601 0.262399 0.262399 O\n0.262399 0.737601 0.737601 O\n0.737601 0.262399 0.737601 O\n0.262399 0.737601 0.262399 O\n0.737601 0.737601 0.262399 O\n0.262399 0.262399 0.737601 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Dy",
"Nb",
"O"
],
"chemical_system": "Ba-Ca-Dy-Nb-O",
"density": 5.7868421370316545,
"density_atomic": 0.0659014092363523,
"volume": 151.74182336731934,
"volume_molar": 9.138106194970543,
"formula_full": "Ba1 Ca1 Dy1 Nb1 O6",
"formula_reduced": "BaCaDyNbO6",
"formula_anonymous": "ABCDE6",
"energy": -81.90780213,
"energy_per_atom": -8.190780213,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.78580213,
"band_gap": 2.856,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.863000Z",
"spacegroup": 216
},
{
"id": "mp-1517509",
"created_at": "2022-09-04T14:41:22.724043Z",
"structure_string": "Na1 Sr1 Ce1 Nb1 O6\n1.0\n0.000000 -4.233922 -4.233922\n4.233922 0.000000 -4.233922\n4.233922 -4.233922 0.000000\nNa Sr Ce Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Nb\n0.737454 0.262546 0.262546 O\n0.262546 0.737454 0.737454 O\n0.737454 0.262546 0.737454 O\n0.262546 0.737454 0.262546 O\n0.737454 0.737454 0.262546 O\n0.262546 0.262546 0.737454 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Ce",
"Nb",
"O"
],
"chemical_system": "Ce-Na-Nb-O-Sr",
"density": 4.809239778669836,
"density_atomic": 0.06587815771560307,
"volume": 151.79538024074898,
"volume_molar": 9.14133146527513,
"formula_full": "Na1 Sr1 Ce1 Nb1 O6",
"formula_reduced": "NaSrCeNbO6",
"formula_anonymous": "ABCDE6",
"energy": -80.29393035,
"energy_per_atom": -8.029393035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.17193035,
"band_gap": 2.1442,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.950000Z",
"spacegroup": 216
},
{
"id": "mp-1522515",
"created_at": "2022-09-04T14:41:16.427604Z",
"structure_string": "Ba2 Sr2 Pr2 Co2 O12\n1.0\n5.905290 0.030850 0.000690\n0.030975 5.894484 -0.003774\n0.001077 -0.005277 8.408401\nBa Sr Pr Co O\n2 2 2 2 12\ndirect\n0.999786 0.002740 0.249620 Ba\n0.000214 0.997260 0.750380 Ba\n0.499551 0.503204 0.250259 Sr\n0.500449 0.496796 0.749741 Sr\n0.500000 -0.000000 -0.000000 Pr\n-0.000000 0.500000 0.500000 Pr\n-0.000000 0.500000 -0.000000 Co\n0.500000 -0.000000 0.500000 Co\n0.213624 0.268145 0.987991 O\n0.288048 0.758630 0.511755 O\n0.786376 0.731855 0.012009 O\n0.711952 0.241370 0.488245 O\n0.238841 0.711086 0.987683 O\n0.270482 0.212708 0.511588 O\n0.761159 0.288914 0.012317 O\n0.729518 0.787292 0.488412 O\n0.478534 0.998153 0.274763 O\n0.027266 0.499243 0.225051 O\n0.521466 0.001847 0.725237 O\n0.972734 0.500757 0.774949 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Pr",
"Co",
"O"
],
"chemical_system": "Ba-Co-O-Pr-Sr",
"density": 5.909470866601629,
"density_atomic": 0.06833475806875172,
"volume": 292.6768245799299,
"volume_molar": 8.81270517405083,
"formula_full": "Ba2 Sr2 Pr2 Co2 O12",
"formula_reduced": "BaSrPrCoO6",
"formula_anonymous": "ABCDE6",
"energy": -139.67596797000002,
"energy_per_atom": -6.983798398500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -128.15596797,
"band_gap": 0.1057999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.301000Z",
"spacegroup": 2
}
]
}