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=12159",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=12157",
"results": [
{
"id": "mp-1521186",
"created_at": "2022-09-04T14:40:15.793500Z",
"structure_string": "Ba1 Eu1 Nb1 In1 O6\n1.0\n0.000000 -4.150845 -4.150845\n4.150845 -0.000000 -4.150845\n4.150845 -4.150845 -0.000000\nBa Eu Nb In 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 Nb\n-0.000000 -0.000000 0.000000 In\n0.740760 0.259240 0.259240 O\n0.259240 0.740760 0.740760 O\n0.740760 0.259240 0.740760 O\n0.259240 0.740760 0.259240 O\n0.740760 0.740760 0.259240 O\n0.259240 0.259240 0.740760 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Nb",
"In",
"O"
],
"chemical_system": "Ba-Eu-In-Nb-O",
"density": 6.88450743579613,
"density_atomic": 0.06991340518726029,
"volume": 143.03408585542923,
"volume_molar": 8.613713984993199,
"formula_full": "Ba1 Eu1 Nb1 In1 O6",
"formula_reduced": "BaEuNbInO6",
"formula_anonymous": "ABCDE6",
"energy": -83.85843215,
"energy_per_atom": -8.385843215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.73643215,
"band_gap": 0.681,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.999975,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.085000Z",
"spacegroup": 216
},
{
"id": "mp-1516685",
"created_at": "2022-09-04T14:40:13.494023Z",
"structure_string": "Ba1 Ca1 Eu1 Se1 O6\n1.0\n-0.000000 -4.105685 -4.105685\n4.105685 0.000000 -4.105685\n4.105685 -4.105685 -0.000000\nBa Ca Eu Se O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 -0.000000 -0.000000 Ca\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Se\n0.724403 0.275597 0.275597 O\n0.275597 0.724403 0.724403 O\n0.724403 0.275597 0.724403 O\n0.275597 0.724403 0.275597 O\n0.724403 0.724403 0.275597 O\n0.275597 0.275597 0.724403 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Eu",
"Se",
"O"
],
"chemical_system": "Ba-Ca-Eu-O-Se",
"density": 6.050246449722205,
"density_atomic": 0.07224588681337225,
"volume": 138.4161845204046,
"volume_molar": 8.335617466440096,
"formula_full": "Ba1 Ca1 Eu1 Se1 O6",
"formula_reduced": "BaCaEuSeO6",
"formula_anonymous": "ABCDE6",
"energy": -72.60597327,
"energy_per_atom": -7.260597327000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.48397327,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9685089,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.733000Z",
"spacegroup": 216
},
{
"id": "mp-1522379",
"created_at": "2022-09-04T14:39:35.457708Z",
"structure_string": "Na1 Ca1 Sn1 Sb1 O6\n1.0\n-0.000000 -4.013593 -4.013593\n4.013593 0.000000 -4.013593\n4.013593 -4.013593 0.000000\nNa Ca Sn Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Sn\n-0.000000 -0.000000 -0.000000 Sb\n0.754125 0.245875 0.245875 O\n0.245875 0.754125 0.754125 O\n0.754125 0.245875 0.754125 O\n0.245875 0.754125 0.245875 O\n0.754125 0.754125 0.245875 O\n0.245875 0.245875 0.754125 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Sn",
"Sb",
"O"
],
"chemical_system": "Ca-Na-O-Sb-Sn",
"density": 5.130657657559794,
"density_atomic": 0.07733391782623976,
"volume": 129.3093674947237,
"volume_molar": 7.7871921263979464,
"formula_full": "Na1 Ca1 Sn1 Sb1 O6",
"formula_reduced": "NaCaSnSbO6",
"formula_anonymous": "ABCDE6",
"energy": -63.22971946,
"energy_per_atom": -6.322971946,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.10771946,
"band_gap": 0.2520999999999995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.739000Z",
"spacegroup": 216
},
{
"id": "mp-1517965",
"created_at": "2022-09-04T14:39:32.998403Z",
"structure_string": "K1 Ca1 Ce1 Mn1 O6\n1.0\n0.000000 -4.116415 -4.116415\n4.116415 0.000000 -4.116415\n4.116415 -4.116415 0.000000\nK Ca Ce Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Mn\n0.732651 0.267349 0.267349 O\n0.267349 0.732651 0.732651 O\n0.732651 0.267349 0.732651 O\n0.267349 0.732651 0.267349 O\n0.732651 0.732651 0.267349 O\n0.267349 0.267349 0.732651 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ca",
"Ce",
"Mn",
"O"
],
"chemical_system": "Ca-Ce-K-Mn-O",
"density": 4.406861832177898,
"density_atomic": 0.07168240174657836,
"volume": 139.50425427085153,
"volume_molar": 8.401142558378991,
"formula_full": "K1 Ca1 Ce1 Mn1 O6",
"formula_reduced": "KCaCeMnO6",
"formula_anonymous": "ABCDE6",
"energy": -73.35981784,
"energy_per_atom": -7.335981784,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.56981784,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.383000Z",
"spacegroup": 216
},
{
"id": "mp-1519427",
"created_at": "2022-09-04T14:39:35.750995Z",
"structure_string": "Ba1 Ca1 Fe1 Bi1 O6\n1.0\n0.000000 -4.132479 -4.132479\n4.132479 -0.000000 -4.132479\n4.132479 -4.132479 0.000000\nBa Ca Fe Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Fe\n-0.000000 0.000000 0.000000 Bi\n0.743981 0.256019 0.256019 O\n0.256019 0.743981 0.743981 O\n0.743981 0.256019 0.743981 O\n0.256019 0.743981 0.256019 O\n0.743981 0.743981 0.256019 O\n0.256019 0.256019 0.743981 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Fe",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Ca-Fe-O",
"density": 6.332168380033855,
"density_atomic": 0.07084970371925566,
"volume": 141.1438506450971,
"volume_molar": 8.499881359931916,
"formula_full": "Ba1 Ca1 Fe1 Bi1 O6",
"formula_reduced": "BaCaFeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -67.45223061,
"energy_per_atom": -6.745223061,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.07423061,
"band_gap": 0.2216,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.0000004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.378000Z",
"spacegroup": 216
},
{
"id": "mp-1519230",
"created_at": "2022-09-04T14:39:33.550879Z",
"structure_string": "Na4 Sr4 Ce4 Bi4 O24\n1.0\n8.515915 0.000000 0.000000\n0.000000 8.532094 0.000000\n0.000000 0.000000 8.533606\nNa Sr Ce Bi O\n4 4 4 4 24\ndirect\n0.000000 -0.000000 -0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 -0.000000 -0.000000 Na\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.000000 0.500000 -0.000000 Sr\n0.000000 -0.000000 0.500000 Sr\n0.250000 0.250000 0.250000 Ce\n0.750000 0.750000 0.250000 Ce\n0.750000 0.250000 0.750000 Ce\n0.250000 0.750000 0.750000 Ce\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\n0.994737 0.203728 0.280976 O\n0.005263 0.796272 0.280976 O\n0.005263 0.203728 0.719024 O\n0.994737 0.796272 0.719024 O\n0.293213 0.994925 0.215866 O\n0.293213 0.005075 0.784134 O\n0.706787 0.005075 0.215866 O\n0.706787 0.994925 0.784134 O\n0.215238 0.294292 0.994760 O\n0.784762 0.294292 0.005240 O\n0.215238 0.705708 0.005240 O\n0.784762 0.705708 0.994760 O\n0.505263 0.296272 0.219024 O\n0.494737 0.703728 0.219024 O\n0.494737 0.296272 0.780976 O\n0.505263 0.703728 0.780976 O\n0.206787 0.505075 0.284134 O\n0.206787 0.494925 0.715866 O\n0.793213 0.494925 0.284134 O\n0.793213 0.505075 0.715866 O\n0.284762 0.205708 0.505240 O\n0.715238 0.205708 0.494760 O\n0.284762 0.794292 0.494760 O\n0.715238 0.794292 0.505240 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Ce",
"Bi",
"O"
],
"chemical_system": "Bi-Ce-Na-O-Sr",
"density": 5.952946186297073,
"density_atomic": 0.06451199232248216,
"volume": 620.0397563300827,
"volume_molar": 9.334916723539648,
"formula_full": "Na4 Sr4 Ce4 Bi4 O24",
"formula_reduced": "NaSrCeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -273.49372636,
"energy_per_atom": -6.837343159,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -257.00572636,
"band_gap": 1.7302999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.562000Z",
"spacegroup": 48
},
{
"id": "mp-1517216",
"created_at": "2022-09-04T14:39:35.369162Z",
"structure_string": "Sr1 Ca1 Pr1 Sb1 O6\n1.0\n0.000000 -4.284449 -4.284449\n4.284449 0.000000 -4.284449\n4.284449 -4.284449 0.000000\nSr Ca Pr Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Sb\n0.732174 0.267826 0.267826 O\n0.267826 0.732174 0.732174 O\n0.732174 0.267826 0.732174 O\n0.267826 0.732174 0.267826 O\n0.732174 0.732174 0.267826 O\n0.267826 0.267826 0.732174 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Pr",
"Sb",
"O"
],
"chemical_system": "Ca-O-Pr-Sb-Sr",
"density": 5.134449059364038,
"density_atomic": 0.06357481010540451,
"volume": 157.2950038453972,
"volume_molar": 9.472526540017231,
"formula_full": "Sr1 Ca1 Pr1 Sb1 O6",
"formula_reduced": "SrCaPrSbO6",
"formula_anonymous": "ABCDE6",
"energy": -70.76543144,
"energy_per_atom": -7.076543144,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.64343144,
"band_gap": 3.0684000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.717000Z",
"spacegroup": 216
},
{
"id": "mp-41963",
"created_at": "2022-09-04T14:39:36.366243Z",
"structure_string": "Ca2 La2 Mn2 Fe2 O12\n1.0\n5.475991 0.000000 0.000000\n0.000000 5.518254 0.000000\n0.000000 5.486123 7.717048\nCa La Mn Fe O\n2 2 2 2 12\ndirect\n0.739029 0.737624 0.750607 Ca\n0.260971 0.737624 0.250607 Ca\n0.242052 0.257092 0.749608 La\n0.757948 0.257092 0.249608 La\n0.749985 0.499666 0.500464 Mn\n0.250015 0.499666 0.000464 Mn\n0.750096 0.000325 0.999417 Fe\n0.249904 0.000325 0.499417 Fe\n0.254911 0.820805 0.754375 O\n0.992012 0.310168 0.956543 O\n0.984859 0.713207 0.543998 O\n0.007988 0.310168 0.456543 O\n0.015141 0.713207 0.043998 O\n0.745089 0.820805 0.254375 O\n0.753964 0.171629 0.745381 O\n0.496943 0.696977 0.542756 O\n0.490720 0.292505 0.956852 O\n0.509280 0.292505 0.456852 O\n0.503057 0.696977 0.042756 O\n0.246036 0.171629 0.245381 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ca",
"La",
"Mn",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-La-Mn-O",
"density": 5.4939405282399525,
"density_atomic": 0.0857658471384252,
"volume": 233.19305606251643,
"volume_molar": 7.021607039315226,
"formula_full": "Ca2 La2 Mn2 Fe2 O12",
"formula_reduced": "CaLaMnFeO6",
"formula_anonymous": "ABCDE6",
"energy": -162.48064367,
"energy_per_atom": -8.1240321835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.38864367,
"band_gap": 1.4781000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0000016,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.928000Z",
"spacegroup": 7
},
{
"id": "mp-1522546",
"created_at": "2022-09-04T14:39:35.547365Z",
"structure_string": "Ba2 Ca2 Sm2 Nb2 O12\n1.0\n5.938326 0.001453 0.026432\n0.005085 6.012664 -0.031495\n0.042308 -0.039937 8.477773\nBa Ca Sm Nb O\n2 2 2 2 12\ndirect\n0.994711 0.032273 0.250524 Ba\n0.005289 0.967727 0.749476 Ba\n0.508588 0.540744 0.253833 Ca\n0.491412 0.459256 0.746167 Ca\n0.500000 0.000000 0.000000 Sm\n0.000000 0.500000 0.500000 Sm\n0.000000 0.500000 0.000000 Nb\n0.500000 0.000000 0.500000 Nb\n0.193552 0.229441 0.960853 O\n0.318834 0.717932 0.556183 O\n0.806448 0.770559 0.039147 O\n0.681166 0.282068 0.443817 O\n0.274341 0.688534 0.938982 O\n0.225849 0.193393 0.528887 O\n0.725659 0.311466 0.061018 O\n0.774151 0.806607 0.471113 O\n0.434342 0.941460 0.267884 O\n0.107253 0.499676 0.231055 O\n0.565658 0.058540 0.732116 O\n0.892747 0.500324 0.768945 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Sm",
"Nb",
"O"
],
"chemical_system": "Ba-Ca-Nb-O-Sm",
"density": 5.668891985122318,
"density_atomic": 0.06607508116616076,
"volume": 302.68596946109636,
"volume_molar": 9.114087570858919,
"formula_full": "Ba2 Ca2 Sm2 Nb2 O12",
"formula_reduced": "BaCaSmNbO6",
"formula_anonymous": "ABCDE6",
"energy": -164.43532311,
"energy_per_atom": -8.221766155500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.19132311,
"band_gap": 3.0694,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.281000Z",
"spacegroup": 2
},
{
"id": "mp-1517157",
"created_at": "2022-09-04T14:39:38.699689Z",
"structure_string": "Ca1 La1 Cr1 Sn1 O6\n1.0\n-0.000000 -4.052587 -4.052587\n4.052587 0.000000 -4.052587\n4.052587 -4.052587 0.000000\nCa La Cr Sn O\n1 1 1 1 6\ndirect\n-0.000000 0.000000 -0.000000 Ca\n0.250000 0.250000 0.250000 La\n0.500000 0.500000 0.500000 Cr\n0.750000 0.750000 0.750000 Sn\n0.730465 0.269535 0.269535 O\n0.269535 0.730465 0.730465 O\n0.730465 0.269535 0.730465 O\n0.269535 0.730465 0.269535 O\n0.730465 0.730465 0.269535 O\n0.269535 0.269535 0.730465 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"La",
"Cr",
"Sn",
"O"
],
"chemical_system": "Ca-Cr-La-O-Sn",
"density": 5.559695724811691,
"density_atomic": 0.0751230070113193,
"volume": 133.11501226905403,
"volume_molar": 8.016373411533703,
"formula_full": "Ca1 La1 Cr1 Sn1 O6",
"formula_reduced": "CaLaCrSnO6",
"formula_anonymous": "ABCDE6",
"energy": -73.7266976,
"energy_per_atom": -7.372669759999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.6056976,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.482000Z",
"spacegroup": 216
},
{
"id": "mp-1519047",
"created_at": "2022-09-04T14:39:36.144788Z",
"structure_string": "Sr1 Ca1 Tb1 Sb1 O6\n1.0\n0.000000 -4.189120 -4.189120\n4.189120 -0.000000 -4.189120\n4.189120 -4.189120 0.000000\nSr Ca Tb Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Sb\n0.763045 0.236955 0.236955 O\n0.236955 0.763045 0.763045 O\n0.763045 0.236955 0.763045 O\n0.236955 0.763045 0.236955 O\n0.763045 0.763045 0.236955 O\n0.236955 0.236955 0.763045 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Tb",
"Sb",
"O"
],
"chemical_system": "Ca-O-Sb-Sr-Tb",
"density": 5.696503129652135,
"density_atomic": 0.06801451425914862,
"volume": 147.02744125905306,
"volume_molar": 8.854199468446492,
"formula_full": "Sr1 Ca1 Tb1 Sb1 O6",
"formula_reduced": "SrCaTbSbO6",
"formula_anonymous": "ABCDE6",
"energy": -71.9792864,
"energy_per_atom": -7.197928640000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.8572864,
"band_gap": 3.3076000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.946000Z",
"spacegroup": 216
},
{
"id": "mp-1518152",
"created_at": "2022-09-04T14:39:33.781100Z",
"structure_string": "K1 Ca1 Ce1 Bi1 O6\n1.0\n-0.000000 -4.318686 -4.318686\n4.318686 -0.000000 -4.318686\n4.318686 -4.318686 -0.000000\nK Ca Ce Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ce\n-0.000000 0.000000 0.000000 Bi\n0.754833 0.245167 0.245167 O\n0.245167 0.754833 0.754833 O\n0.754833 0.245167 0.754833 O\n0.245167 0.754833 0.245167 O\n0.754833 0.754833 0.245167 O\n0.245167 0.245167 0.754833 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ca",
"Ce",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Ce-K-O",
"density": 5.404039028174607,
"density_atomic": 0.06207476982993574,
"volume": 161.09604638723076,
"volume_molar": 9.701430672233933,
"formula_full": "K1 Ca1 Ce1 Bi1 O6",
"formula_reduced": "KCaCeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -67.59489927,
"energy_per_atom": -6.759489927,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.47289927,
"band_gap": 1.7974,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.573000Z",
"spacegroup": 216
}
]
}