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=12151",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=12149",
"results": [
{
"id": "mp-1522448",
"created_at": "2022-09-04T14:47:04.658256Z",
"structure_string": "K4 Ca4 La4 W4 O24\n1.0\n8.560840 0.000000 0.000000\n0.000000 8.505566 0.000000\n0.000000 0.000000 8.500069\nK Ca La W O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 -0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.750000 0.750000 0.750000 La\n0.250000 0.250000 0.750000 La\n0.250000 0.750000 0.250000 La\n0.750000 0.250000 0.250000 La\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.024469 0.198270 0.286598 O\n0.975531 0.801730 0.286598 O\n0.975531 0.198270 0.713402 O\n0.024469 0.801730 0.713402 O\n0.276980 0.024932 0.214048 O\n0.276980 0.975068 0.785952 O\n0.723020 0.975068 0.214048 O\n0.723020 0.024932 0.785952 O\n0.210008 0.275001 0.024861 O\n0.789992 0.275001 0.975139 O\n0.210008 0.724999 0.975139 O\n0.789992 0.724999 0.024861 O\n0.475531 0.301730 0.213402 O\n0.524469 0.698270 0.213402 O\n0.524469 0.301730 0.786598 O\n0.475531 0.698270 0.786598 O\n0.223020 0.475068 0.285952 O\n0.223020 0.524932 0.714048 O\n0.776980 0.524932 0.285952 O\n0.776980 0.475068 0.714048 O\n0.289992 0.224999 0.475139 O\n0.710008 0.224999 0.524861 O\n0.289992 0.775001 0.524861 O\n0.710008 0.775001 0.475139 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Ca",
"La",
"W",
"O"
],
"chemical_system": "Ca-K-La-O-W",
"density": 5.343490151649998,
"density_atomic": 0.06462758700697846,
"volume": 618.9307361217249,
"volume_molar": 9.318220034038609,
"formula_full": "K4 Ca4 La4 W4 O24",
"formula_reduced": "KCaLaWO6",
"formula_anonymous": "ABCDE6",
"energy": -316.13831817,
"energy_per_atom": -7.903457954249999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -281.89831817,
"band_gap": 2.8899000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.200000Z",
"spacegroup": 48
},
{
"id": "mp-1523150",
"created_at": "2022-09-04T14:47:10.979948Z",
"structure_string": "Pr1 Eu1 Nb1 Fe1 O6\n1.0\n0.000000 -4.006856 -4.006856\n4.006856 -0.000000 -4.006856\n4.006856 -4.006856 0.000000\nPr Eu Nb Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Fe\n0.750128 0.249872 0.249872 O\n0.249872 0.750128 0.750128 O\n0.750128 0.249872 0.750128 O\n0.249872 0.750128 0.249872 O\n0.750128 0.750128 0.249872 O\n0.249872 0.249872 0.750128 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Pr",
"Eu",
"Nb",
"Fe",
"O"
],
"chemical_system": "Eu-Fe-Nb-O-Pr",
"density": 6.938775770287807,
"density_atomic": 0.07772465441807236,
"volume": 128.65930475819295,
"volume_molar": 7.748044433375757,
"formula_full": "Pr1 Eu1 Nb1 Fe1 O6",
"formula_reduced": "PrEuNbFeO6",
"formula_anonymous": "ABCDE6",
"energy": -91.9201165,
"energy_per_atom": -9.192011650000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.5421165,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.0093092,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.332000Z",
"spacegroup": 216
},
{
"id": "mp-1522560",
"created_at": "2022-09-04T14:47:11.660964Z",
"structure_string": "Ba1 Sr1 Pr1 Hf1 O6\n1.0\n-0.000000 -4.398655 -4.398655\n4.398655 -0.000000 -4.398655\n4.398655 -4.398655 0.000000\nBa Sr Pr Hf O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Hf\n0.764407 0.235593 0.235593 O\n0.235593 0.764407 0.764407 O\n0.764407 0.235593 0.764407 O\n0.235593 0.764407 0.235593 O\n0.764407 0.764407 0.235593 O\n0.235593 0.235593 0.764407 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Pr",
"Hf",
"O"
],
"chemical_system": "Ba-Hf-O-Pr-Sr",
"density": 6.246989051591905,
"density_atomic": 0.058750329075210946,
"volume": 170.21181255339368,
"volume_molar": 10.250394942112717,
"formula_full": "Ba1 Sr1 Pr1 Hf1 O6",
"formula_reduced": "BaSrPrHfO6",
"formula_anonymous": "ABCDE6",
"energy": -81.01211579,
"energy_per_atom": -8.101211579,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.89011579,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.092000Z",
"spacegroup": 216
},
{
"id": "mp-818579",
"created_at": "2022-09-04T14:47:05.308670Z",
"structure_string": "K4 Fe4 Pb4 O4 F24\n1.0\n-6.094905 6.105678 -0.269018\n-0.446918 -0.266615 8.955813\n6.233666 6.245740 0.733677\nK Fe Pb O F\n4 4 4 4 24\ndirect\n0.258114 0.000653 0.492222 K\n0.758298 0.000730 0.992279 K\n0.741891 0.999352 0.507763 K\n0.241697 0.999301 0.007702 K\n0.506531 0.221493 0.240998 Fe\n0.493488 0.778511 0.758996 Fe\n0.006516 0.221247 0.740817 Fe\n0.993357 0.778702 0.259326 Fe\n0.998639 0.723501 0.742209 Pb\n0.498130 0.723976 0.240962 Pb\n0.001617 0.276422 0.258081 Pb\n0.501774 0.275802 0.758744 Pb\n0.571114 0.501583 0.506924 O\n0.071131 0.501657 0.007247 O\n0.428876 0.498464 0.493036 O\n0.928845 0.498342 0.992788 O\n0.971769 0.568401 0.289712 F\n0.472009 0.568456 0.790695 F\n0.028206 0.431582 0.710307 F\n0.528047 0.431582 0.209259 F\n0.989953 0.796470 0.037457 F\n0.490043 0.796845 0.537322 F\n0.010042 0.203540 0.962575 F\n0.509969 0.203195 0.462658 F\n0.017712 0.004535 0.252738 F\n0.517841 0.004659 0.752662 F\n0.982299 0.995483 0.747297 F\n0.482162 0.995374 0.247270 F\n0.767137 0.809855 0.260526 F\n0.267271 0.809817 0.760465 F\n0.232814 0.190150 0.739475 F\n0.732749 0.190215 0.239491 F\n0.000987 0.197189 0.516483 F\n0.500899 0.196492 0.016633 F\n0.999000 0.802804 0.483584 F\n0.499094 0.803553 0.983313 F\n0.221431 0.775841 0.253520 F\n0.721566 0.775980 0.753484 F\n0.778534 0.224184 0.746489 F\n0.278450 0.224061 0.246494 F\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Fe",
"Pb",
"O",
"F"
],
"chemical_system": "F-Fe-K-O-Pb",
"density": 4.188465635112884,
"density_atomic": 0.05836981363170024,
"volume": 685.2857240968863,
"volume_molar": 10.317217728324932,
"formula_full": "K4 Fe4 Pb4 O4 F24",
"formula_reduced": "KFePbOF6",
"formula_anonymous": "ABCDE6",
"energy": -218.46743893,
"energy_per_atom": -5.46168597325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -197.71143893,
"band_gap": 1.4272999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0015313,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:56.832000Z",
"spacegroup": 2
},
{
"id": "mp-1520878",
"created_at": "2022-09-04T14:47:04.918250Z",
"structure_string": "K1 Sr1 Sm1 Mn1 O6\n1.0\n0.000000 -4.186217 -4.186217\n4.186217 0.000000 -4.186217\n4.186217 -4.186217 0.000000\nK Sr Sm Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Mn\n0.772095 0.227905 0.227905 O\n0.227905 0.772095 0.772095 O\n0.772095 0.227905 0.772095 O\n0.227905 0.772095 0.227905 O\n0.772095 0.772095 0.227905 O\n0.227905 0.227905 0.772095 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Sr",
"Sm",
"Mn",
"O"
],
"chemical_system": "K-Mn-O-Sm-Sr",
"density": 4.844072026250785,
"density_atomic": 0.06815610970589615,
"volume": 146.72198931469975,
"volume_molar": 8.835804722403378,
"formula_full": "K1 Sr1 Sm1 Mn1 O6",
"formula_reduced": "KSrSmMnO6",
"formula_anonymous": "ABCDE6",
"energy": -69.9543043,
"energy_per_atom": -6.995430430000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.1643043,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.243000Z",
"spacegroup": 216
},
{
"id": "mp-1517893",
"created_at": "2022-09-04T14:47:11.681971Z",
"structure_string": "Na1 Sr1 Nb1 Bi1 O6\n1.0\n0.000000 -4.209668 -4.209668\n4.209668 0.000000 -4.209668\n4.209668 -4.209668 0.000000\nNa Sr Nb Bi 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 Nb\n0.000000 0.000000 0.000000 Bi\n0.737594 0.262406 0.262406 O\n0.262406 0.737594 0.737594 O\n0.737594 0.262406 0.737594 O\n0.262406 0.737594 0.262406 O\n0.737594 0.737594 0.262406 O\n0.262406 0.262406 0.737594 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Nb",
"Bi",
"O"
],
"chemical_system": "Bi-Na-Nb-O-Sr",
"density": 5.659271102788121,
"density_atomic": 0.06702340168142937,
"volume": 149.201618376985,
"volume_molar": 8.985131474860065,
"formula_full": "Na1 Sr1 Nb1 Bi1 O6",
"formula_reduced": "NaSrNbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -70.97898463,
"energy_per_atom": -7.097898463,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.85698463,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001507,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.481000Z",
"spacegroup": 216
},
{
"id": "mp-1519242",
"created_at": "2022-09-04T14:47:02.716788Z",
"structure_string": "Sr2 Pr2 Eu2 Nb2 O12\n1.0\n5.889995 -0.006933 0.026191\n-0.000127 6.082249 0.007755\n0.047944 0.020587 8.460650\nSr Pr Eu Nb O\n2 2 2 2 12\ndirect\n0.514052 0.552732 0.250387 Sr\n0.485948 0.447268 0.749613 Sr\n0.500000 0.000000 -0.000000 Pr\n0.000000 0.500000 0.500000 Pr\n0.983579 0.055529 0.248655 Eu\n0.016421 0.944471 0.751345 Eu\n0.000000 0.500000 -0.000000 Nb\n0.500000 0.000000 0.500000 Nb\n0.173331 0.218167 0.941235 O\n0.323794 0.721335 0.557580 O\n0.826669 0.781833 0.058765 O\n0.676206 0.278665 0.442420 O\n0.278693 0.682675 0.946034 O\n0.220467 0.180730 0.557166 O\n0.721307 0.317325 0.053966 O\n0.779533 0.819270 0.442834 O\n0.389737 0.966632 0.272430 O\n0.102379 0.460570 0.227995 O\n0.610263 0.033368 0.727570 O\n0.897621 0.539430 0.772005 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Pr",
"Eu",
"Nb",
"O"
],
"chemical_system": "Eu-Nb-O-Pr-Sr",
"density": 6.239097343855601,
"density_atomic": 0.065987161892372,
"volume": 303.0892589776916,
"volume_molar": 9.126230902038762,
"formula_full": "Sr2 Pr2 Eu2 Nb2 O12",
"formula_reduced": "SrPrEuNbO6",
"formula_anonymous": "ABCDE6",
"energy": -180.50360704,
"energy_per_atom": -9.025180352,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.25960704,
"band_gap": 0.1748000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 13.9961526,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.905000Z",
"spacegroup": 2
},
{
"id": "mp-1522180",
"created_at": "2022-09-04T14:47:01.439080Z",
"structure_string": "K1 La1 Nb1 Fe1 O6\n1.0\n0.000000 -4.016720 -4.016720\n4.016720 0.000000 -4.016720\n4.016720 -4.016720 0.000000\nK La Nb Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 La\n0.500000 0.500000 0.500000 Nb\n0.000000 -0.000000 0.000000 Fe\n0.749097 0.250903 0.250903 O\n0.250903 0.749097 0.749097 O\n0.749097 0.250903 0.749097 O\n0.250903 0.749097 0.250903 O\n0.749097 0.749097 0.250903 O\n0.250903 0.250903 0.749097 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"La",
"Nb",
"Fe",
"O"
],
"chemical_system": "Fe-K-La-Nb-O",
"density": 5.416136913191695,
"density_atomic": 0.07715344598486734,
"volume": 129.61183875003292,
"volume_molar": 7.805407371151206,
"formula_full": "K1 La1 Nb1 Fe1 O6",
"formula_reduced": "KLaNbFeO6",
"formula_anonymous": "ABCDE6",
"energy": -81.97790811000002,
"energy_per_atom": -8.197790811,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.59990811,
"band_gap": 1.7117999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0000007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.281000Z",
"spacegroup": 216
},
{
"id": "mp-1519686",
"created_at": "2022-09-04T14:47:06.316103Z",
"structure_string": "Ba2 Ca2 Nd2 Nb2 O12\n1.0\n5.956606 -0.005082 0.032686\n-0.000461 6.040319 -0.033839\n0.052398 -0.042627 8.508301\nBa Ca Nd Nb O\n2 2 2 2 12\ndirect\n0.994977 0.034806 0.250865 Ba\n0.005023 0.965194 0.749135 Ba\n0.510534 0.541628 0.254750 Ca\n0.489466 0.458372 0.745250 Ca\n0.500000 -0.000000 -0.000000 Nd\n0.000000 0.500000 0.500000 Nd\n0.000000 0.500000 -0.000000 Nb\n0.500000 -0.000000 0.500000 Nb\n0.188476 0.228847 0.957985 O\n0.323375 0.718625 0.559204 O\n0.811524 0.771153 0.042015 O\n0.676625 0.281375 0.440796 O\n0.272737 0.684899 0.935169 O\n0.225330 0.188740 0.529998 O\n0.727263 0.315101 0.064831 O\n0.774670 0.811260 0.470002 O\n0.430933 0.936489 0.270380 O\n0.113441 0.497177 0.228424 O\n0.569067 0.063511 0.729620 O\n0.886559 0.502823 0.771576 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Nd",
"Nb",
"O"
],
"chemical_system": "Ba-Ca-Nb-Nd-O",
"density": 5.539141664154371,
"density_atomic": 0.06533641205887093,
"volume": 306.1080241440123,
"volume_molar": 9.217128045803602,
"formula_full": "Ba2 Ca2 Nd2 Nb2 O12",
"formula_reduced": "BaCaNdNbO6",
"formula_anonymous": "ABCDE6",
"energy": -163.95315269000002,
"energy_per_atom": -8.1976576345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.70915269,
"band_gap": 3.0381,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.943000Z",
"spacegroup": 2
},
{
"id": "mp-1519487",
"created_at": "2022-09-04T14:47:02.262423Z",
"structure_string": "Na1 Hf1 Nb1 Sn1 O6\n1.0\n0.000000 -4.078777 -4.078777\n4.078777 -0.000000 -4.078777\n4.078777 -4.078777 -0.000000\nNa Hf Nb Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Nb\n0.750000 0.750000 0.750000 Sn\n0.746132 0.253868 0.253868 O\n0.253868 0.746132 0.746132 O\n0.746132 0.253868 0.746132 O\n0.253868 0.746132 0.253868 O\n0.746132 0.746132 0.253868 O\n0.253868 0.253868 0.746132 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Hf",
"Nb",
"Sn",
"O"
],
"chemical_system": "Hf-Na-Nb-O-Sn",
"density": 6.229109392912476,
"density_atomic": 0.07368517500319727,
"volume": 135.71250932858734,
"volume_molar": 8.17279834069566,
"formula_full": "Na1 Hf1 Nb1 Sn1 O6",
"formula_reduced": "NaHfNbSnO6",
"formula_anonymous": "ABCDE6",
"energy": -83.35798946,
"energy_per_atom": -8.335798946,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.23598946,
"band_gap": 2.4758,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.929000Z",
"spacegroup": 216
},
{
"id": "mp-1516730",
"created_at": "2022-09-04T14:47:00.666353Z",
"structure_string": "Ba1 Na1 Nb1 Bi1 O6\n1.0\n-0.000000 -4.242591 -4.242591\n4.242591 0.000000 -4.242591\n4.242591 -4.242591 -0.000000\nBa Na Nb Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 -0.000000 Bi\n0.736872 0.263128 0.263128 O\n0.263128 0.736872 0.736872 O\n0.736872 0.263128 0.736872 O\n0.263128 0.736872 0.263128 O\n0.736872 0.736872 0.263128 O\n0.263128 0.263128 0.736872 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Nb",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Na-Nb-O",
"density": 6.068975656400001,
"density_atomic": 0.06547515049334311,
"volume": 152.72969859025685,
"volume_molar": 9.197597431429005,
"formula_full": "Ba1 Na1 Nb1 Bi1 O6",
"formula_reduced": "BaNaNbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -71.46340309,
"energy_per_atom": -7.146340309,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.34140309,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.120000Z",
"spacegroup": 216
},
{
"id": "mp-1520904",
"created_at": "2022-09-04T14:47:01.713112Z",
"structure_string": "Na1 Sr1 Nb1 Sn1 O6\n1.0\n-0.000000 -4.063548 -4.063548\n4.063548 0.000000 -4.063548\n4.063548 -4.063548 -0.000000\nNa Sr Nb Sn 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 Nb\n0.500000 0.500000 0.500000 Sn\n0.753649 0.246351 0.246351 O\n0.246351 0.753649 0.753649 O\n0.753649 0.246351 0.753649 O\n0.246351 0.753649 0.246351 O\n0.753649 0.753649 0.246351 O\n0.246351 0.246351 0.753649 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Nb",
"Sn",
"O"
],
"chemical_system": "Na-Nb-O-Sn-Sr",
"density": 5.175000121040599,
"density_atomic": 0.0745167357100792,
"volume": 134.19804161721206,
"volume_molar": 8.081594963351892,
"formula_full": "Na1 Sr1 Nb1 Sn1 O6",
"formula_reduced": "NaSrNbSnO6",
"formula_anonymous": "ABCDE6",
"energy": -73.90083356,
"energy_per_atom": -7.390083356,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.77883356,
"band_gap": 3.2357,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.582000Z",
"spacegroup": 216
}
]
}