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=101",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=99",
"results": [
{
"id": "mp-1518541",
"created_at": "2022-09-04T14:46:09.028069Z",
"structure_string": "Sr2 Eu2 Nb2 Bi2 O12\n1.0\n5.893045 0.006545 -0.013351\n0.001397 6.091991 0.009287\n-0.026941 0.005369 8.445523\nSr Eu Nb Bi O\n2 2 2 2 12\ndirect\n0.987702 0.052232 0.250344 Sr\n0.012298 0.947768 0.749656 Sr\n0.516780 0.554317 0.248415 Eu\n0.483220 0.445683 0.751585 Eu\n0.500000 0.000000 -0.000000 Nb\n-0.000000 0.500000 0.500000 Nb\n-0.000000 0.500000 -0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.219450 0.183190 0.948678 O\n0.279564 0.683027 0.557063 O\n0.780550 0.816810 0.051322 O\n0.720436 0.316973 0.442937 O\n0.326472 0.718466 0.940372 O\n0.175841 0.221174 0.558020 O\n0.673528 0.281534 0.059628 O\n0.824159 0.778826 0.441980 O\n0.396813 0.957545 0.228744 O\n0.111899 0.465381 0.271874 O\n0.603187 0.042455 0.771256 O\n0.888101 0.534619 0.728126 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Nb",
"Bi",
"O"
],
"chemical_system": "Bi-Eu-Nb-O-Sr",
"density": 6.982565790233531,
"density_atomic": 0.06596417100136596,
"volume": 303.19489650807327,
"volume_molar": 9.12941172242625,
"formula_full": "Sr2 Eu2 Nb2 Bi2 O12",
"formula_reduced": "SrEuNbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -168.39754146,
"energy_per_atom": -8.419877073,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.15354146,
"band_gap": 0.0453999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9856479,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.403000Z",
"spacegroup": 2
},
{
"id": "mp-1517512",
"created_at": "2022-09-04T14:46:10.044292Z",
"structure_string": "Eu1 Nb1 Fe1 Sn1 O6\n1.0\n0.000000 -4.020891 -4.020891\n4.020891 0.000000 -4.020891\n4.020891 -4.020891 -0.000000\nEu Nb Fe Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Nb\n-0.000000 -0.000000 0.000000 Fe\n0.750000 0.750000 0.750000 Sn\n0.749580 0.250420 0.250420 O\n0.250420 0.749580 0.749580 O\n0.749580 0.250420 0.749580 O\n0.250420 0.749580 0.250420 O\n0.749580 0.749580 0.250420 O\n0.250420 0.250420 0.749580 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Eu",
"Nb",
"Fe",
"Sn",
"O"
],
"chemical_system": "Eu-Fe-Nb-O-Sn",
"density": 6.582865284881158,
"density_atomic": 0.07691359368510113,
"volume": 130.0160286482244,
"volume_molar": 7.829748255757999,
"formula_full": "Eu1 Nb1 Fe1 Sn1 O6",
"formula_reduced": "EuNbFeSnO6",
"formula_anonymous": "ABCDE6",
"energy": -86.89228422,
"energy_per_atom": -8.689228422,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.51428422,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.7482244,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.391000Z",
"spacegroup": 216
},
{
"id": "mp-1227851",
"created_at": "2022-09-04T14:40:39.543151Z",
"structure_string": "Ba1 La1 Nb1 Cr1 O6\n1.0\n0.000000 4.049796 4.049796\n4.049796 0.000000 4.049796\n4.049796 4.049796 0.000000\nBa La Nb Cr O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 La\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Cr\n0.752340 0.752340 0.247660 O\n0.247660 0.752340 0.247660 O\n0.752340 0.247660 0.247660 O\n0.247660 0.247660 0.752340 O\n0.752340 0.247660 0.752340 O\n0.247660 0.752340 0.752340 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"La",
"Nb",
"Cr",
"O"
],
"chemical_system": "Ba-Cr-La-Nb-O",
"density": 6.464285472616185,
"density_atomic": 0.07527843176084907,
"volume": 132.8401743512518,
"volume_molar": 7.999822285261801,
"formula_full": "Ba1 La1 Nb1 Cr1 O6",
"formula_reduced": "BaLaNbCrO6",
"formula_anonymous": "ABCDE6",
"energy": -86.96294436,
"energy_per_atom": -8.696294435999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.84194436000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.999924,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.244000Z",
"spacegroup": 216
},
{
"id": "mp-1522487",
"created_at": "2022-09-04T14:39:22.832027Z",
"structure_string": "Ba1 Hf1 Ti1 In1 O6\n1.0\n0.000000 -4.071134 -4.071134\n4.071134 0.000000 -4.071134\n4.071134 -4.071134 -0.000000\nBa Hf Ti In O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 -0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.250000 0.250000 0.250000 In\n0.743958 0.256042 0.256042 O\n0.256042 0.743958 0.743958 O\n0.743958 0.256042 0.743958 O\n0.256042 0.743958 0.256042 O\n0.743958 0.743958 0.256042 O\n0.256042 0.256042 0.743958 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Hf",
"Ti",
"In",
"O"
],
"chemical_system": "Ba-Hf-In-O-Ti",
"density": 7.069061068645134,
"density_atomic": 0.07410095626224303,
"volume": 134.95102498556204,
"volume_molar": 8.126940681693316,
"formula_full": "Ba1 Hf1 Ti1 In1 O6",
"formula_reduced": "BaHfTiInO6",
"formula_anonymous": "ABCDE6",
"energy": -83.26227908999999,
"energy_per_atom": -8.326227909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.14027909,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.487000Z",
"spacegroup": 216
},
{
"id": "mp-1523017",
"created_at": "2022-09-04T14:46:13.952981Z",
"structure_string": "Eu1 Mg1 Bi1 Sb1 O6\n1.0\n0.000000 -4.017287 -4.017287\n4.017287 -0.000000 -4.017287\n4.017287 -4.017287 0.000000\nEu Mg Bi Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Bi\n0.500000 0.500000 0.500000 Sb\n0.746991 0.253009 0.253009 O\n0.253009 0.746991 0.746991 O\n0.746991 0.253009 0.746991 O\n0.253009 0.746991 0.253009 O\n0.746991 0.746991 0.253009 O\n0.253009 0.253009 0.746991 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Eu",
"Mg",
"Bi",
"Sb",
"O"
],
"chemical_system": "Bi-Eu-Mg-O-Sb",
"density": 7.722217206595503,
"density_atomic": 0.0771207822768587,
"volume": 129.66673450096286,
"volume_molar": 7.808713270543467,
"formula_full": "Eu1 Mg1 Bi1 Sb1 O6",
"formula_reduced": "EuMgBiSbO6",
"formula_anonymous": "ABCDE6",
"energy": -72.7583427,
"energy_per_atom": -7.27583427,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.6363427,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.8612608,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.826000Z",
"spacegroup": 216
},
{
"id": "mp-1517490",
"created_at": "2022-09-04T14:44:25.351829Z",
"structure_string": "Sr1 Ca1 Eu1 Se1 O6\n1.0\n0.000000 -4.041662 -4.041662\n4.041662 0.000000 -4.041662\n4.041662 -4.041662 -0.000000\nSr Ca Eu Se O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n-0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Se\n0.725530 0.274470 0.274470 O\n0.274470 0.725530 0.725530 O\n0.725530 0.274470 0.725530 O\n0.274470 0.725530 0.274470 O\n0.725530 0.725530 0.274470 O\n0.274470 0.274470 0.725530 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Eu",
"Se",
"O"
],
"chemical_system": "Ca-Eu-O-Se-Sr",
"density": 5.717236236589563,
"density_atomic": 0.0757338492828563,
"volume": 132.0413539611762,
"volume_molar": 7.9517161969518675,
"formula_full": "Sr1 Ca1 Eu1 Se1 O6",
"formula_reduced": "SrCaEuSeO6",
"formula_anonymous": "ABCDE6",
"energy": -72.47836772,
"energy_per_atom": -7.247836771999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.35636772,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9892148,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.553000Z",
"spacegroup": 216
},
{
"id": "mp-1517423",
"created_at": "2022-09-04T14:47:12.686243Z",
"structure_string": "Ba1 Na1 La1 Se1 O6\n1.0\n0.000000 -4.183658 -4.183658\n4.183658 0.000000 -4.183658\n4.183658 -4.183658 0.000000\nBa Na La Se O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Se\n0.720028 0.279972 0.279972 O\n0.279972 0.720028 0.720028 O\n0.720028 0.279972 0.720028 O\n0.279972 0.720028 0.279972 O\n0.720028 0.720028 0.279972 O\n0.279972 0.279972 0.720028 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Na",
"La",
"Se",
"O"
],
"chemical_system": "Ba-La-Na-O-Se",
"density": 5.3764122540467145,
"density_atomic": 0.06828125247904392,
"volume": 146.45308392767228,
"volume_molar": 8.81961086148536,
"formula_full": "Ba1 Na1 La1 Se1 O6",
"formula_reduced": "BaNaLaSeO6",
"formula_anonymous": "ABCDE6",
"energy": -65.26863525,
"energy_per_atom": -6.526863525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.14663525,
"band_gap": 2.0473000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.216000Z",
"spacegroup": 216
},
{
"id": "mp-1521790",
"created_at": "2022-09-04T14:48:15.028628Z",
"structure_string": "Na1 Sr1 Pr1 Mn1 O6\n1.0\n0.000000 -4.208723 -4.208723\n4.208723 0.000000 -4.208723\n4.208723 -4.208723 0.000000\nNa Sr Pr Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Mn\n0.774725 0.225275 0.225275 O\n0.225275 0.774725 0.774725 O\n0.774725 0.225275 0.774725 O\n0.225275 0.774725 0.225275 O\n0.774725 0.774725 0.225275 O\n0.225275 0.225275 0.774725 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Pr",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O-Pr-Sr",
"density": 4.482104887587112,
"density_atomic": 0.06706855884926943,
"volume": 149.10116113384964,
"volume_molar": 8.979081798274837,
"formula_full": "Na1 Sr1 Pr1 Mn1 O6",
"formula_reduced": "NaSrPrMnO6",
"formula_anonymous": "ABCDE6",
"energy": -69.29299084,
"energy_per_atom": -6.929299084,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.50299084,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:50.406000Z",
"spacegroup": 216
},
{
"id": "mp-1519946",
"created_at": "2022-09-04T14:43:43.372281Z",
"structure_string": "Na1 Sr1 Sn1 Sb1 O6\n1.0\n-0.000000 -4.040142 -4.040142\n4.040142 -0.000000 -4.040142\n4.040142 -4.040142 -0.000000\nNa Sr Sn Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 -0.000000 Sb\n0.754252 0.245748 0.245748 O\n0.245748 0.754252 0.754252 O\n0.754252 0.245748 0.754252 O\n0.245748 0.754252 0.245748 O\n0.754252 0.754252 0.245748 O\n0.245748 0.245748 0.754252 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Sn",
"Sb",
"O"
],
"chemical_system": "Na-O-Sb-Sn-Sr",
"density": 5.62873410969187,
"density_atomic": 0.07581936021211273,
"volume": 131.89243449198113,
"volume_molar": 7.942748056897893,
"formula_full": "Na1 Sr1 Sn1 Sb1 O6",
"formula_reduced": "NaSrSnSbO6",
"formula_anonymous": "ABCDE6",
"energy": -63.38208596999999,
"energy_per_atom": -6.3382085969999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.26008597,
"band_gap": 0.0043000000000006,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.749000Z",
"spacegroup": 216
},
{
"id": "mp-1218539",
"created_at": "2022-09-04T14:48:15.018468Z",
"structure_string": "Sr2 Ca2 Nb2 Cr2 O12\n1.0\n-5.580322 -0.000020 0.002254\n0.001813 -0.000002 -7.914351\n-0.000021 -5.629143 -0.000002\nSr Ca Nb Cr O\n2 2 2 2 12\ndirect\n0.504141 0.249686 0.975761 Sr\n0.004130 0.749693 0.524276 Sr\n0.492947 0.751802 0.038905 Ca\n0.992924 0.251817 0.461113 Ca\n0.499966 0.499756 0.501044 Nb\n0.999951 0.999732 0.998870 Nb\n0.999995 0.500280 0.998441 Cr\n0.499992 0.000221 0.501471 Cr\n0.790433 0.460859 0.708341 O\n0.290433 0.960863 0.791677 O\n0.220453 0.529851 0.279526 O\n0.720467 0.029860 0.220493 O\n0.720861 0.467705 0.221462 O\n0.220857 0.967706 0.278554 O\n0.292953 0.540129 0.789527 O\n0.792954 0.040135 0.710495 O\n0.556807 0.749490 0.480465 O\n0.056818 0.249480 0.019564 O\n0.421456 0.250466 0.512100 O\n0.921459 0.750472 0.987916 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Nb",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-Nb-O-Sr",
"density": 4.923953464424422,
"density_atomic": 0.08044761764858367,
"volume": 248.60897792356332,
"volume_molar": 7.485791296277155,
"formula_full": "Sr2 Ca2 Nb2 Cr2 O12",
"formula_reduced": "SrCaNbCrO6",
"formula_anonymous": "ABCDE6",
"energy": -168.306124,
"energy_per_atom": -8.4153062,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.064124,
"band_gap": 2.084,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:41.522000Z",
"spacegroup": 7
},
{
"id": "mp-1519203",
"created_at": "2022-09-04T14:42:20.453833Z",
"structure_string": "Sr2 Ce2 Eu2 Sb2 O12\n1.0\n5.799899 0.003708 0.004514\n-0.003544 6.098716 0.009163\n-0.004442 0.002151 8.406670\nSr Ce Eu Sb O\n2 2 2 2 12\ndirect\n0.984747 0.057137 0.246670 Sr\n0.015253 0.942863 0.753330 Sr\n-0.000000 0.500000 0.000000 Ce\n0.500000 -0.000000 0.500000 Ce\n0.519048 0.561479 0.249484 Eu\n0.480952 0.438521 0.750516 Eu\n0.500000 -0.000000 0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.188654 0.197296 0.942815 O\n0.285543 0.680352 0.556064 O\n0.811346 0.802704 0.057185 O\n0.714457 0.319648 0.443936 O\n0.317640 0.688684 0.937375 O\n0.180160 0.222077 0.556880 O\n0.682360 0.311316 0.062625 O\n0.819840 0.777923 0.443120 O\n0.391537 0.952896 0.254068 O\n0.113838 0.466362 0.271269 O\n0.608463 0.047104 0.745932 O\n0.886162 0.533638 0.728731 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Ce",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ce-Eu-O-Sb-Sr",
"density": 6.672710723245009,
"density_atomic": 0.06725846980638182,
"volume": 297.36031844873014,
"volume_molar": 8.953728470683389,
"formula_full": "Sr2 Ce2 Eu2 Sb2 O12",
"formula_reduced": "SrCeEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -163.94685676,
"energy_per_atom": -8.197342838,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.70285676,
"band_gap": 0.1295999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 13.7890084,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.428000Z",
"spacegroup": 2
},
{
"id": "mp-1522632",
"created_at": "2022-09-04T14:39:42.333348Z",
"structure_string": "Ba2 Sr2 Pr2 Hf2 O12\n1.0\n6.103668 -0.003891 0.019917\n-0.002373 6.193118 -0.019934\n0.029536 -0.026976 8.658426\nBa Sr Pr Hf O\n2 2 2 2 12\ndirect\n0.992126 0.034477 0.250464 Ba\n0.007874 0.965523 0.749536 Ba\n0.511809 0.540969 0.252144 Sr\n0.488191 0.459031 0.747856 Sr\n0.500000 0.000000 -0.000000 Pr\n-0.000000 0.500000 0.500000 Pr\n-0.000000 0.500000 -0.000000 Hf\n0.500000 0.000000 0.500000 Hf\n0.194452 0.229116 0.954312 O\n0.312713 0.723364 0.552392 O\n0.805548 0.770884 0.045688 O\n0.687287 0.276636 0.447608 O\n0.274302 0.692956 0.948320 O\n0.227669 0.197393 0.538986 O\n0.725698 0.307044 0.051680 O\n0.772331 0.802607 0.461014 O\n0.422036 0.954412 0.267299 O\n0.098402 0.482331 0.232237 O\n0.577964 0.045588 0.732701 O\n0.901598 0.517669 0.767763 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Pr",
"Hf",
"O"
],
"chemical_system": "Ba-Hf-O-Pr-Sr",
"density": 6.497712935692518,
"density_atomic": 0.061108282735170126,
"volume": 327.28787497884053,
"volume_molar": 9.8548682608193,
"formula_full": "Ba2 Sr2 Pr2 Hf2 O12",
"formula_reduced": "BaSrPrHfO6",
"formula_anonymous": "ABCDE6",
"energy": -163.45132054,
"energy_per_atom": -8.172566027,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.20732054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.471000Z",
"spacegroup": 2
}
]
}