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=12139",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=12137",
"results": [
{
"id": "mp-1173157",
"created_at": "2022-09-04T14:44:25.020669Z",
"structure_string": "Sr3 La3 V3 Fe3 O18\n1.0\n-2.769019 2.769019 11.894871\n2.769019 -2.769019 11.894871\n2.769019 2.769019 -11.894871\nSr La V Fe O\n3 3 3 3 18\ndirect\n0.750000 0.250000 0.500000 Sr\n0.416692 0.916692 0.500000 Sr\n0.083308 0.583308 0.500000 Sr\n0.916854 0.416854 0.500000 La\n0.583146 0.083146 0.500000 La\n0.250000 0.750000 0.500000 La\n0.000000 0.000000 0.000000 V\n0.832943 0.832943 0.000000 V\n0.167057 0.167057 0.000000 V\n0.666558 0.666558 0.000000 Fe\n0.333442 0.333442 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.411142 0.920710 0.997599 O\n0.411142 0.413544 0.490432 O\n0.079290 0.588858 0.002401 O\n0.916622 0.916622 0.000000 O\n0.750718 0.750718 0.000000 O\n0.079290 0.076888 0.490432 O\n0.245147 0.245147 0.490294 O\n0.754853 0.245147 0.000000 O\n0.583409 0.583409 0.000000 O\n0.416591 0.416591 0.000000 O\n0.245147 0.754853 0.000000 O\n0.754853 0.754853 0.509706 O\n0.923112 0.920710 0.509568 O\n0.083378 0.083378 0.000000 O\n0.249282 0.249282 0.000000 O\n0.923112 0.413544 0.002401 O\n0.586456 0.588858 0.509568 O\n0.586456 0.076888 0.997599 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Sr",
"La",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-La-O-Sr-V",
"density": 5.862300934804119,
"density_atomic": 0.08223366672089379,
"volume": 364.81408644736564,
"volume_molar": 7.323205932722814,
"formula_full": "Sr3 La3 V3 Fe3 O18",
"formula_reduced": "SrLaVFeO6",
"formula_anonymous": "ABCDE6",
"energy": -246.8215101,
"energy_per_atom": -8.22738367,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -222.5875101,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 18.0003204,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.666000Z",
"spacegroup": 119
},
{
"id": "mp-1520831",
"created_at": "2022-09-04T14:44:25.884299Z",
"structure_string": "Ba1 Sr1 Dy1 Se1 O6\n1.0\n0.000000 -4.180385 -4.180385\n4.180385 -0.000000 -4.180385\n4.180385 -4.180385 0.000000\nBa Sr Dy Se 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 Dy\n0.500000 0.500000 0.500000 Se\n0.734931 0.265069 0.265069 O\n0.265069 0.734931 0.734931 O\n0.734931 0.265069 0.734931 O\n0.265069 0.734931 0.265069 O\n0.734931 0.734931 0.265069 O\n0.265069 0.265069 0.734931 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Dy",
"Se",
"O"
],
"chemical_system": "Ba-Dy-O-Se-Sr",
"density": 6.391726702243057,
"density_atomic": 0.06844175891123752,
"volume": 146.10962896159717,
"volume_molar": 8.798927519981108,
"formula_full": "Ba1 Sr1 Dy1 Se1 O6",
"formula_reduced": "BaSrDySeO6",
"formula_anonymous": "ABCDE6",
"energy": -68.04347677,
"energy_per_atom": -6.804347677,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.92147677,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4800689,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.986000Z",
"spacegroup": 216
},
{
"id": "mp-1517122",
"created_at": "2022-09-04T14:44:18.096457Z",
"structure_string": "Na1 La1 Mn1 W1 O6\n1.0\n0.000000 -4.045637 -4.045637\n4.045637 0.000000 -4.045637\n4.045637 -4.045637 -0.000000\nNa La Mn W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 La\n-0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 W\n0.739433 0.260567 0.260567 O\n0.260567 0.739433 0.739433 O\n0.739433 0.260567 0.739433 O\n0.260567 0.739433 0.260567 O\n0.739433 0.739433 0.260567 O\n0.260567 0.260567 0.739433 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"La",
"Mn",
"W",
"O"
],
"chemical_system": "La-Mn-Na-O-W",
"density": 6.22767609375195,
"density_atomic": 0.07551083394910557,
"volume": 132.4313277580806,
"volume_molar": 7.975200967928568,
"formula_full": "Na1 La1 Mn1 W1 O6",
"formula_reduced": "NaLaMnWO6",
"formula_anonymous": "ABCDE6",
"energy": -83.60095976999999,
"energy_per_atom": -8.360095976999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.37295977,
"band_gap": 1.0187999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0000006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.964000Z",
"spacegroup": 216
},
{
"id": "mp-1516632",
"created_at": "2022-09-04T14:44:24.927543Z",
"structure_string": "Ba4 Na4 Sm4 W4 O24\n1.0\n8.413365 0.000000 0.000000\n0.000000 8.463072 0.000000\n0.000000 0.000000 8.483499\nBa Na Sm W O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n-0.000000 0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.000000 -0.000000 Na\n-0.000000 0.500000 -0.000000 Na\n0.750000 0.750000 0.750000 Sm\n0.250000 0.250000 0.750000 Sm\n0.250000 0.750000 0.250000 Sm\n0.750000 0.250000 0.250000 Sm\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\n0.020629 0.218307 0.271474 O\n0.979371 0.781693 0.271474 O\n0.979371 0.218307 0.728526 O\n0.020629 0.781693 0.728526 O\n0.270885 0.022163 0.216179 O\n0.270885 0.977837 0.783821 O\n0.729115 0.977837 0.216179 O\n0.729115 0.022163 0.783821 O\n0.220729 0.280284 0.022100 O\n0.779271 0.280284 0.977900 O\n0.220729 0.719716 0.977900 O\n0.779271 0.719716 0.022100 O\n0.479371 0.281693 0.228526 O\n0.520629 0.718307 0.228526 O\n0.520629 0.281693 0.771474 O\n0.479371 0.718307 0.771474 O\n0.229115 0.477837 0.283821 O\n0.229115 0.522163 0.716179 O\n0.770885 0.522163 0.283821 O\n0.770885 0.477837 0.716179 O\n0.279271 0.219716 0.477899 O\n0.720729 0.219716 0.522100 O\n0.279271 0.780284 0.522100 O\n0.720729 0.780284 0.477899 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Sm",
"W",
"O"
],
"chemical_system": "Ba-Na-O-Sm-W",
"density": 6.493306409957523,
"density_atomic": 0.06621970050179578,
"volume": 604.0498476569712,
"volume_molar": 9.094183021617093,
"formula_full": "Ba4 Na4 Sm4 W4 O24",
"formula_reduced": "BaNaSmWO6",
"formula_anonymous": "ABCDE6",
"energy": -317.66896646000004,
"energy_per_atom": -7.941724161500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -283.42896646,
"band_gap": 2.92,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.772000Z",
"spacegroup": 48
},
{
"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-1519985",
"created_at": "2022-09-04T14:44:21.550655Z",
"structure_string": "Ba2 Sr2 Ca2 W2 O12\n1.0\n5.960198 0.009704 -0.045535\n0.001090 6.071408 0.034636\n-0.079194 0.032433 8.567914\nBa Sr Ca W O\n2 2 2 2 12\ndirect\n0.996754 0.041777 0.248333 Ba\n0.003246 0.958223 0.751667 Ba\n-0.000000 0.500000 -0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n0.513872 0.541875 0.243630 Ca\n0.486128 0.458125 0.756370 Ca\n0.500000 0.000000 -0.000000 W\n-0.000000 0.500000 0.500000 W\n0.226227 0.172082 0.974329 O\n0.260322 0.671795 0.573742 O\n0.773773 0.827918 0.025671 O\n0.739678 0.328205 0.426258 O\n0.342123 0.726681 0.935162 O\n0.171760 0.234109 0.548061 O\n0.657877 0.273319 0.064838 O\n0.828240 0.765891 0.451939 O\n0.430955 0.928864 0.218181 O\n0.125522 0.495214 0.285708 O\n0.569045 0.071136 0.781819 O\n0.874478 0.504786 0.714292 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Ca",
"W",
"O"
],
"chemical_system": "Ba-Ca-O-Sr-W",
"density": 5.836871676106093,
"density_atomic": 0.06451266843956145,
"volume": 310.0166290398754,
"volume_molar": 9.334818890094168,
"formula_full": "Ba2 Sr2 Ca2 W2 O12",
"formula_reduced": "BaSrCaWO6",
"formula_anonymous": "ABCDE6",
"energy": -155.49083012,
"energy_per_atom": -7.774541506,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.37083012,
"band_gap": 3.3675000000000006,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.684000Z",
"spacegroup": 2
},
{
"id": "mp-1518395",
"created_at": "2022-09-04T14:44:25.972286Z",
"structure_string": "Ba2 Eu2 Nb2 Bi2 O12\n1.0\n6.011719 -0.011751 -0.020886\n-0.014909 6.076856 -0.029420\n-0.033394 -0.044881 8.545104\nBa Eu Nb Bi O\n2 2 2 2 12\ndirect\n0.506284 0.532963 0.250352 Ba\n0.493716 0.467037 0.749648 Ba\n0.990245 0.042464 0.252545 Eu\n0.009755 0.957536 0.747455 Eu\n0.500000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.000000 0.500000 0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.229000 0.187712 0.948149 O\n0.267249 0.694683 0.536912 O\n0.771000 0.812288 0.051851 O\n0.732751 0.305317 0.463088 O\n0.307951 0.733310 0.956206 O\n0.181157 0.223036 0.548495 O\n0.692049 0.266690 0.043794 O\n0.818843 0.776964 0.451505 O\n0.400262 0.990993 0.228550 O\n0.071418 0.460376 0.270366 O\n0.599738 0.009007 0.771450 O\n0.928582 0.539624 0.729634 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Nb",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Eu-Nb-O",
"density": 7.310886029890638,
"density_atomic": 0.0640699054896589,
"volume": 312.1590370260195,
"volume_molar": 9.399328302383706,
"formula_full": "Ba2 Eu2 Nb2 Bi2 O12",
"formula_reduced": "BaEuNbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -168.17073107,
"energy_per_atom": -8.4085365535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -159.92673107,
"band_gap": 0.0891999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.200000Z",
"spacegroup": 2
},
{
"id": "mp-1516618",
"created_at": "2022-09-04T14:44:27.298239Z",
"structure_string": "Na4 Ca4 Ce4 Bi4 O24\n1.0\n8.427395 0.000000 0.000000\n0.000000 8.412125 0.000000\n0.000000 0.000000 8.409472\nNa Ca Ce Bi O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 -0.000000 -0.000000 Na\n0.000000 -0.000000 0.500000 Na\n0.500000 -0.000000 0.500000 Ca\n-0.000000 0.500000 -0.000000 Ca\n-0.000000 -0.000000 -0.000000 Ca\n0.500000 0.500000 0.500000 Ca\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\n0.994079 0.190940 0.283412 O\n0.005921 0.809060 0.283412 O\n0.005921 0.190940 0.716588 O\n0.994079 0.809060 0.716588 O\n0.292550 0.994436 0.196306 O\n0.292550 0.005564 0.803694 O\n0.707450 0.005564 0.196306 O\n0.707450 0.994436 0.803694 O\n0.185948 0.290025 0.993156 O\n0.814052 0.290025 0.006844 O\n0.185948 0.709975 0.006844 O\n0.814052 0.709975 0.993156 O\n0.505921 0.309060 0.216588 O\n0.494079 0.690940 0.216588 O\n0.494079 0.309060 0.783412 O\n0.505921 0.690940 0.783412 O\n0.207450 0.505564 0.303694 O\n0.207450 0.494436 0.696306 O\n0.792550 0.494436 0.303694 O\n0.792550 0.505564 0.696306 O\n0.314052 0.209975 0.506844 O\n0.685948 0.209975 0.493156 O\n0.314052 0.790025 0.493156 O\n0.685948 0.790025 0.506844 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Ce",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Ce-Na-O",
"density": 5.6616400553933275,
"density_atomic": 0.06709531478627712,
"volume": 596.1668132479069,
"volume_molar": 8.97550116454882,
"formula_full": "Na4 Ca4 Ce4 Bi4 O24",
"formula_reduced": "NaCaCeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -273.80151086,
"energy_per_atom": -6.8450377715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -257.31351086,
"band_gap": 1.8000999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.483000Z",
"spacegroup": 48
},
{
"id": "mp-1521256",
"created_at": "2022-09-04T14:41:01.317592Z",
"structure_string": "Ba1 Nd1 Mn1 Sn1 O6\n1.0\n-0.000000 -4.069253 -4.069253\n4.069253 -0.000000 -4.069253\n4.069253 -4.069253 0.000000\nBa Nd Mn Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Nd\n0.000000 -0.000000 -0.000000 Mn\n0.500000 0.500000 0.500000 Sn\n0.752841 0.247159 0.247159 O\n0.247159 0.752841 0.752841 O\n0.752841 0.247159 0.752841 O\n0.247159 0.752841 0.247159 O\n0.752841 0.752841 0.247159 O\n0.247159 0.247159 0.752841 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Nd",
"Mn",
"Sn",
"O"
],
"chemical_system": "Ba-Mn-Nd-O-Sn",
"density": 6.791955424648073,
"density_atomic": 0.07420376260417809,
"volume": 134.7640557439461,
"volume_molar": 8.1156811307853,
"formula_full": "Ba1 Nd1 Mn1 Sn1 O6",
"formula_reduced": "BaNdMnSnO6",
"formula_anonymous": "ABCDE6",
"energy": -75.60075450000001,
"energy_per_atom": -7.560075450000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.8107545,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.741000Z",
"spacegroup": 216
},
{
"id": "mp-1519213",
"created_at": "2022-09-04T14:41:08.894763Z",
"structure_string": "K1 La1 Hf1 Sn1 O6\n1.0\n0.000000 -4.113485 -4.113485\n4.113485 0.000000 -4.113485\n4.113485 -4.113485 0.000000\nK La Hf Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Sn\n0.749966 0.250034 0.250034 O\n0.250034 0.749966 0.749966 O\n0.749966 0.250034 0.749966 O\n0.250034 0.749966 0.250034 O\n0.749966 0.749966 0.250034 O\n0.250034 0.250034 0.749966 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"La",
"Hf",
"Sn",
"O"
],
"chemical_system": "Hf-K-La-O-Sn",
"density": 6.8136163426851954,
"density_atomic": 0.07183568715406127,
"volume": 139.2065753969007,
"volume_molar": 8.383215917576887,
"formula_full": "K1 La1 Hf1 Sn1 O6",
"formula_reduced": "KLaHfSnO6",
"formula_anonymous": "ABCDE6",
"energy": -80.14307035,
"energy_per_atom": -8.014307035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.02107035,
"band_gap": 1.9904,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.968000Z",
"spacegroup": 216
},
{
"id": "mp-1516441",
"created_at": "2022-09-04T14:41:02.959168Z",
"structure_string": "Sr1 Sm1 Zr1 Ti1 O6\n1.0\n-0.000000 -4.052254 -4.052254\n4.052254 -0.000000 -4.052254\n4.052254 -4.052254 0.000000\nSr Sm Zr Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sm\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 -0.000000 Ti\n0.756915 0.243085 0.243085 O\n0.243085 0.756915 0.756915 O\n0.756915 0.243085 0.756915 O\n0.243085 0.756915 0.243085 O\n0.756915 0.756915 0.243085 O\n0.243085 0.243085 0.756915 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Sm",
"Zr",
"Ti",
"O"
],
"chemical_system": "O-Sm-Sr-Ti-Zr",
"density": 5.902719474015035,
"density_atomic": 0.07514152856780237,
"volume": 133.08220088944174,
"volume_molar": 8.014397464068153,
"formula_full": "Sr1 Sm1 Zr1 Ti1 O6",
"formula_reduced": "SrSmZrTiO6",
"formula_anonymous": "ABCDE6",
"energy": -87.17014213,
"energy_per_atom": -8.717014213,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.04814213,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032334,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.524000Z",
"spacegroup": 216
},
{
"id": "mp-1518702",
"created_at": "2022-09-04T14:41:06.497166Z",
"structure_string": "K1 Nd1 Fe1 Bi1 O6\n1.0\n-0.000000 -4.081814 -4.081814\n4.081814 0.000000 -4.081814\n4.081814 -4.081814 -0.000000\nK Nd Fe Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Fe\n-0.000000 -0.000000 0.000000 Bi\n0.743866 0.256134 0.256134 O\n0.256134 0.743866 0.743866 O\n0.743866 0.256134 0.743866 O\n0.256134 0.743866 0.256134 O\n0.743866 0.743866 0.256134 O\n0.256134 0.256134 0.743866 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Nd",
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Fe-K-Nd-O",
"density": 6.643359577943498,
"density_atomic": 0.073520824973837,
"volume": 136.0158839833283,
"volume_molar": 8.191067989434327,
"formula_full": "K1 Nd1 Fe1 Bi1 O6",
"formula_reduced": "KNdFeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -67.70354062,
"energy_per_atom": -6.770354062,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.32554062,
"band_gap": 0.4222000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.0000005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.655000Z",
"spacegroup": 216
}
]
}