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=12138",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=12136",
"results": [
{
"id": "mp-1519433",
"created_at": "2022-09-04T14:44:22.567148Z",
"structure_string": "Ca1 La1 Fe1 Bi1 O6\n1.0\n-0.000000 -4.184143 -4.184143\n4.184143 0.000000 -4.184143\n4.184143 -4.184143 -0.000000\nCa La Fe Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 La\n-0.000000 -0.000000 -0.000000 Fe\n0.750000 0.750000 0.750000 Bi\n0.770596 0.229404 0.229404 O\n0.229404 0.770596 0.770596 O\n0.770596 0.229404 0.770596 O\n0.229404 0.770596 0.229404 O\n0.770596 0.770596 0.229404 O\n0.229404 0.229404 0.770596 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"La",
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Fe-La-O",
"density": 6.1183830825731915,
"density_atomic": 0.06825751100872277,
"volume": 146.50402354580552,
"volume_molar": 8.822678516991951,
"formula_full": "Ca1 La1 Fe1 Bi1 O6",
"formula_reduced": "CaLaFeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -69.62097708,
"energy_per_atom": -6.962097708,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.24297708,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9998989,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.546000Z",
"spacegroup": 216
},
{
"id": "mp-1518140",
"created_at": "2022-09-04T14:44:24.531477Z",
"structure_string": "Sr2 Eu2 Gd2 Sb2 O12\n1.0\n5.868025 0.003613 -0.014201\n-0.000642 6.002948 -0.001242\n-0.028614 -0.008526 8.389766\nSr Eu Gd Sb O\n2 2 2 2 12\ndirect\n0.987375 0.046876 0.250886 Sr\n0.012625 0.953124 0.749114 Sr\n0.513161 0.548244 0.248373 Eu\n0.486839 0.451756 0.751627 Eu\n0.000000 0.500000 -0.000000 Gd\n0.500000 0.000000 0.500000 Gd\n0.500000 0.000000 -0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.223230 0.192335 0.952275 O\n0.278369 0.689758 0.550579 O\n0.776770 0.807665 0.047725 O\n0.721631 0.310242 0.449421 O\n0.315011 0.719402 0.950036 O\n0.187491 0.221920 0.549551 O\n0.684989 0.280598 0.049964 O\n0.812509 0.778080 0.450449 O\n0.410698 0.970920 0.232970 O\n0.096525 0.475804 0.267117 O\n0.589302 0.029080 0.767030 O\n0.903475 0.524196 0.732883 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Gd",
"Sb",
"O"
],
"chemical_system": "Eu-Gd-O-Sb-Sr",
"density": 6.906565387095861,
"density_atomic": 0.06767484318597974,
"volume": 295.53079192274237,
"volume_molar": 8.898640139365128,
"formula_full": "Sr2 Eu2 Gd2 Sb2 O12",
"formula_reduced": "SrEuGdSbO6",
"formula_anonymous": "ABCDE6",
"energy": -180.8613169,
"energy_per_atom": -9.043065845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.6173169,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0028084,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.799000Z",
"spacegroup": 2
},
{
"id": "mp-1520660",
"created_at": "2022-09-04T14:44:10.826905Z",
"structure_string": "Ba4 Ca4 Dy4 Bi4 O24\n1.0\n8.549664 0.000000 0.000000\n0.000000 8.549548 0.000000\n0.000000 0.000000 8.534503\nBa Ca Dy Bi O\n4 4 4 4 24\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.250000 0.250000 0.250000 Dy\n0.750000 0.750000 0.250000 Dy\n0.750000 0.250000 0.750000 Dy\n0.250000 0.750000 0.750000 Dy\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.750000 Bi\n0.250000 0.750000 0.250000 Bi\n0.750000 0.250000 0.250000 Bi\n0.992808 0.190053 0.286642 O\n0.007192 0.809947 0.286642 O\n0.007192 0.190053 0.713358 O\n0.992808 0.809947 0.713358 O\n0.305715 0.992785 0.207549 O\n0.305715 0.007215 0.792451 O\n0.694285 0.007215 0.207549 O\n0.694285 0.992785 0.792451 O\n0.216238 0.277991 0.994760 O\n0.783762 0.277991 0.005240 O\n0.216238 0.722009 0.005240 O\n0.783762 0.722009 0.994760 O\n0.507192 0.309947 0.213358 O\n0.492808 0.690053 0.213358 O\n0.492808 0.309947 0.786642 O\n0.507192 0.690053 0.786642 O\n0.194285 0.507215 0.292451 O\n0.194285 0.492785 0.707549 O\n0.805715 0.492785 0.292451 O\n0.805715 0.507215 0.707549 O\n0.283762 0.222009 0.505240 O\n0.716238 0.222009 0.494760 O\n0.283762 0.777991 0.494760 O\n0.716238 0.777991 0.505240 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Dy",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Ca-Dy-O",
"density": 6.866236710247366,
"density_atomic": 0.06411941533297799,
"volume": 623.83600649314,
"volume_molar": 9.392070605644907,
"formula_full": "Ba4 Ca4 Dy4 Bi4 O24",
"formula_reduced": "BaCaDyBiO6",
"formula_anonymous": "ABCDE6",
"energy": -280.6763518,
"energy_per_atom": -7.016908795000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -264.1883518,
"band_gap": 1.7625000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.379000Z",
"spacegroup": 48
},
{
"id": "mp-1516299",
"created_at": "2022-09-04T14:44:14.036793Z",
"structure_string": "Ba1 Eu1 Zr1 Sn1 O6\n1.0\n-0.000000 -4.185831 -4.185831\n4.185831 0.000000 -4.185831\n4.185831 -4.185831 -0.000000\nBa Eu Zr Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Zr\n-0.000000 -0.000000 -0.000000 Sn\n0.751624 0.248376 0.248376 O\n0.248376 0.751624 0.751624 O\n0.751624 0.248376 0.751624 O\n0.248376 0.751624 0.248376 O\n0.751624 0.751624 0.248376 O\n0.248376 0.248376 0.751624 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Zr",
"Sn",
"O"
],
"chemical_system": "Ba-Eu-O-Sn-Zr",
"density": 6.738334540457915,
"density_atomic": 0.0681749666672448,
"volume": 146.68140651698445,
"volume_molar": 8.833360769200617,
"formula_full": "Ba1 Eu1 Zr1 Sn1 O6",
"formula_reduced": "BaEuZrSnO6",
"formula_anonymous": "ABCDE6",
"energy": -85.40413032000001,
"energy_per_atom": -8.540413032,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.28213032,
"band_gap": 0.7465000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.601000Z",
"spacegroup": 216
},
{
"id": "mp-1522690",
"created_at": "2022-09-04T14:44:13.433824Z",
"structure_string": "Ba2 Sr2 Pr2 Sn2 O12\n1.0\n6.128975 -0.003384 -0.023106\n-0.004879 6.186086 -0.021538\n-0.034270 -0.031909 8.666047\nBa Sr Pr Sn O\n2 2 2 2 12\ndirect\n0.507382 0.532058 0.249949 Ba\n0.492618 0.467942 0.750051 Ba\n0.988560 0.039886 0.253406 Sr\n0.011440 0.960114 0.746594 Sr\n0.000000 0.500000 0.000000 Pr\n0.500000 0.000000 0.500000 Pr\n0.500000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.226213 0.195425 0.949780 O\n0.270422 0.701362 0.539069 O\n0.773787 0.804575 0.050220 O\n0.729578 0.298638 0.460931 O\n0.302716 0.731018 0.956008 O\n0.189597 0.223231 0.549505 O\n0.697284 0.268982 0.043992 O\n0.810403 0.776769 0.450495 O\n0.402070 0.982081 0.233400 O\n0.075414 0.456584 0.265927 O\n0.597930 0.017919 0.766600 O\n0.924586 0.543416 0.734073 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Pr",
"Sn",
"O"
],
"chemical_system": "Ba-O-Pr-Sn-Sr",
"density": 5.868328066480568,
"density_atomic": 0.06087197488432497,
"volume": 328.5584218025784,
"volume_molar": 9.8931253198929,
"formula_full": "Ba2 Sr2 Pr2 Sn2 O12",
"formula_reduced": "BaSrPrSnO6",
"formula_anonymous": "ABCDE6",
"energy": -140.35814928,
"energy_per_atom": -7.017907463999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.11414928,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.203000Z",
"spacegroup": 2
},
{
"id": "mp-1520342",
"created_at": "2022-09-04T14:44:21.285750Z",
"structure_string": "Ba1 Sr1 Eu1 Cr1 O6\n1.0\n0.000000 -4.166283 -4.166283\n4.166283 -0.000000 -4.166283\n4.166283 -4.166283 0.000000\nBa Sr Eu Cr O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 -0.000000 Cr\n0.772015 0.227985 0.227985 O\n0.227985 0.772015 0.772015 O\n0.772015 0.227985 0.772015 O\n0.227985 0.772015 0.227985 O\n0.772015 0.772015 0.227985 O\n0.227985 0.227985 0.772015 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Eu",
"Cr",
"O"
],
"chemical_system": "Ba-Cr-Eu-O-Sr",
"density": 6.026321129703334,
"density_atomic": 0.06913909722563712,
"volume": 144.63596432803797,
"volume_molar": 8.710181361417836,
"formula_full": "Ba1 Sr1 Eu1 Cr1 O6",
"formula_reduced": "BaSrEuCrO6",
"formula_anonymous": "ABCDE6",
"energy": -79.80298653,
"energy_per_atom": -7.980298653,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.68198653,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.872000Z",
"spacegroup": 216
},
{
"id": "mp-1521910",
"created_at": "2022-09-04T14:44:16.400531Z",
"structure_string": "Sr1 Eu1 Nb1 V1 O6\n1.0\n-0.000000 -4.013482 -4.013482\n4.013482 0.000000 -4.013482\n4.013482 -4.013482 0.000000\nSr Eu Nb V O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.000000 -0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 V\n0.750292 0.249708 0.249708 O\n0.249708 0.750292 0.750292 O\n0.750292 0.249708 0.750292 O\n0.249708 0.750292 0.249708 O\n0.750292 0.750292 0.249708 O\n0.249708 0.249708 0.750292 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Nb",
"V",
"O"
],
"chemical_system": "Eu-Nb-O-Sr-V",
"density": 6.15713663517487,
"density_atomic": 0.07734033442580733,
"volume": 129.2986392448692,
"volume_molar": 7.786546056090624,
"formula_full": "Sr1 Eu1 Nb1 V1 O6",
"formula_reduced": "SrEuNbVO6",
"formula_anonymous": "ABCDE6",
"energy": -91.79145527,
"energy_per_atom": -9.179145527,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.96945527,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9999884,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.036000Z",
"spacegroup": 216
},
{
"id": "mp-1521023",
"created_at": "2022-09-04T14:44:24.239192Z",
"structure_string": "Sr1 Eu1 Cr1 Bi1 O6\n1.0\n0.000000 -4.104827 -4.104827\n4.104827 -0.000000 -4.104827\n4.104827 -4.104827 0.000000\nSr Eu Cr Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Cr\n-0.000000 -0.000000 -0.000000 Bi\n0.743515 0.256485 0.256485 O\n0.256485 0.743515 0.743515 O\n0.743515 0.256485 0.743515 O\n0.256485 0.743515 0.256485 O\n0.743515 0.743515 0.256485 O\n0.256485 0.256485 0.743515 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Cr",
"Bi",
"O"
],
"chemical_system": "Bi-Cr-Eu-O-Sr",
"density": 7.161209848144733,
"density_atomic": 0.0722911992675454,
"volume": 138.32942462319096,
"volume_molar": 8.330392663306661,
"formula_full": "Sr1 Eu1 Cr1 Bi1 O6",
"formula_reduced": "SrEuCrBiO6",
"formula_anonymous": "ABCDE6",
"energy": -78.69651198,
"energy_per_atom": -7.869651198,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.57551198,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.4921098,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.432000Z",
"spacegroup": 216
},
{
"id": "mp-1520122",
"created_at": "2022-09-04T14:44:09.670816Z",
"structure_string": "Ca1 Eu1 Mg1 Nb1 O6\n1.0\n-0.000000 -3.992380 -3.992380\n3.992380 -0.000000 -3.992380\n3.992380 -3.992380 0.000000\nCa Eu Mg Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Nb\n0.748704 0.251296 0.251296 O\n0.251296 0.748704 0.748704 O\n0.748704 0.251296 0.748704 O\n0.251296 0.748704 0.251296 O\n0.748704 0.748704 0.251296 O\n0.251296 0.251296 0.748704 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Eu",
"Mg",
"Nb",
"O"
],
"chemical_system": "Ca-Eu-Mg-Nb-O",
"density": 5.287450025310349,
"density_atomic": 0.07857319089695328,
"volume": 127.26987266069852,
"volume_molar": 7.664370876700023,
"formula_full": "Ca1 Eu1 Mg1 Nb1 O6",
"formula_reduced": "CaEuMgNbO6",
"formula_anonymous": "ABCDE6",
"energy": -84.48883605,
"energy_per_atom": -8.448883605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.36683605,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9999829,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.777000Z",
"spacegroup": 216
},
{
"id": "mp-1521934",
"created_at": "2022-09-04T14:44:09.247333Z",
"structure_string": "K1 Sm1 Sn1 W1 O6\n1.0\n0.000000 -4.248239 -4.248239\n4.248239 0.000000 -4.248239\n4.248239 -4.248239 0.000000\nK Sm Sn W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sm\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 W\n0.729798 0.270202 0.270202 O\n0.270202 0.729798 0.729798 O\n0.729798 0.270202 0.729798 O\n0.270202 0.729798 0.270202 O\n0.729798 0.729798 0.270202 O\n0.270202 0.270202 0.729798 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Sm",
"Sn",
"W",
"O"
],
"chemical_system": "K-O-Sm-Sn-W",
"density": 6.367560420339345,
"density_atomic": 0.06521435145389141,
"volume": 153.34048069266336,
"volume_molar": 9.23437958937281,
"formula_full": "K1 Sm1 Sn1 W1 O6",
"formula_reduced": "KSmSnWO6",
"formula_anonymous": "ABCDE6",
"energy": -76.75775987,
"energy_per_atom": -7.675775987,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.19775987,
"band_gap": 2.3670000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.365000Z",
"spacegroup": 216
},
{
"id": "mp-1520047",
"created_at": "2022-09-04T14:44:08.860622Z",
"structure_string": "K1 Pr1 Dy1 Nb1 O6\n1.0\n0.000000 -4.204151 -4.204151\n4.204151 0.000000 -4.204151\n4.204151 -4.204151 0.000000\nK Pr Dy Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Pr\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Nb\n0.737886 0.262114 0.262114 O\n0.262114 0.737886 0.737886 O\n0.737886 0.262114 0.737886 O\n0.262114 0.737886 0.262114 O\n0.737886 0.737886 0.262114 O\n0.262114 0.262114 0.737886 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Pr",
"Dy",
"Nb",
"O"
],
"chemical_system": "Dy-K-Nb-O-Pr",
"density": 5.937626401885532,
"density_atomic": 0.06728760738425192,
"volume": 148.61577619923537,
"volume_molar": 8.94985123428453,
"formula_full": "K1 Pr1 Dy1 Nb1 O6",
"formula_reduced": "KPrDyNbO6",
"formula_anonymous": "ABCDE6",
"energy": -82.0792042,
"energy_per_atom": -8.20792042,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.9572042,
"band_gap": 2.4221,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.155000Z",
"spacegroup": 216
},
{
"id": "mp-1518530",
"created_at": "2022-09-04T14:44:06.334238Z",
"structure_string": "Na1 La1 Y1 Sb1 O6\n1.0\n-0.000000 -4.164535 -4.164535\n4.164535 0.000000 -4.164535\n4.164535 -4.164535 -0.000000\nNa La Y Sb 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 Y\n0.000000 -0.000000 -0.000000 Sb\n0.762514 0.237486 0.237486 O\n0.237486 0.762514 0.762514 O\n0.762514 0.237486 0.762514 O\n0.237486 0.762514 0.237486 O\n0.762514 0.762514 0.237486 O\n0.237486 0.237486 0.762514 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"La",
"Y",
"Sb",
"O"
],
"chemical_system": "La-Na-O-Sb-Y",
"density": 5.386199516358434,
"density_atomic": 0.06922619401518183,
"volume": 144.45399089551165,
"volume_molar": 8.699222665165296,
"formula_full": "Na1 La1 Y1 Sb1 O6",
"formula_reduced": "NaLaYSbO6",
"formula_anonymous": "ABCDE6",
"energy": -75.02083098,
"energy_per_atom": -7.502083098,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.89883098,
"band_gap": 2.4689999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.854000Z",
"spacegroup": 216
}
]
}