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=67",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=65",
"results": [
{
"id": "mp-1518060",
"created_at": "2022-09-04T14:41:46.474667Z",
"structure_string": "Sr1 Eu1 Gd1 Sb1 O6\n1.0\n0.000000 -4.227054 -4.227054\n4.227054 0.000000 -4.227054\n4.227054 -4.227054 0.000000\nSr Eu Gd Sb 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 Gd\n0.500000 0.500000 0.500000 Sb\n0.735743 0.264257 0.264257 O\n0.264257 0.735743 0.735743 O\n0.735743 0.264257 0.735743 O\n0.264257 0.735743 0.264257 O\n0.735743 0.735743 0.264257 O\n0.264257 0.264257 0.735743 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Gd",
"Sb",
"O"
],
"chemical_system": "Eu-Gd-O-Sb-Sr",
"density": 6.7560287073789125,
"density_atomic": 0.06619979073623146,
"volume": 151.05787931935188,
"volume_molar": 9.0969181216823,
"formula_full": "Sr1 Eu1 Gd1 Sb1 O6",
"formula_reduced": "SrEuGdSbO6",
"formula_anonymous": "ABCDE6",
"energy": -89.65969003,
"energy_per_atom": -8.965969003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.53769003,
"band_gap": 0.4206000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.590000Z",
"spacegroup": 216
},
{
"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-1518634",
"created_at": "2022-09-04T14:39:41.100112Z",
"structure_string": "K4 Sr4 Zr4 Bi4 O24\n1.0\n8.428667 0.000000 0.000000\n0.000000 8.392959 0.000000\n0.000000 0.000000 8.404774\nK Sr Zr Bi O\n4 4 4 4 24\ndirect\n-0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 -0.000000 -0.000000 K\n-0.000000 -0.000000 0.500000 K\n0.500000 -0.000000 0.500000 Sr\n-0.000000 0.500000 0.000000 Sr\n-0.000000 -0.000000 -0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.250000 Zr\n0.750000 0.250000 0.750000 Zr\n0.250000 0.750000 0.750000 Zr\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\n0.001601 0.229193 0.258101 O\n0.998399 0.770807 0.258101 O\n0.998399 0.229193 0.741899 O\n0.001601 0.770807 0.741899 O\n0.266966 0.001488 0.231119 O\n0.266966 0.998512 0.768881 O\n0.733034 0.998512 0.231119 O\n0.733034 0.001488 0.768881 O\n0.217131 0.267932 0.000260 O\n0.782869 0.267932 0.999740 O\n0.217131 0.732068 0.999740 O\n0.782869 0.732068 0.000260 O\n0.498399 0.270807 0.241899 O\n0.501601 0.729193 0.241899 O\n0.501601 0.270807 0.758101 O\n0.498399 0.729193 0.758101 O\n0.233034 0.498512 0.268881 O\n0.233034 0.501488 0.731119 O\n0.766966 0.501488 0.268881 O\n0.766966 0.498512 0.731119 O\n0.282869 0.232068 0.499740 O\n0.717131 0.232068 0.500260 O\n0.282869 0.767932 0.500260 O\n0.717131 0.767932 0.499740 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Sr",
"Zr",
"Bi",
"O"
],
"chemical_system": "Bi-K-O-Sr-Zr",
"density": 5.841757922658243,
"density_atomic": 0.06727596775151366,
"volume": 594.5659547810819,
"volume_molar": 8.951399676988675,
"formula_full": "K4 Sr4 Zr4 Bi4 O24",
"formula_reduced": "KSrZrBiO6",
"formula_anonymous": "ABCDE6",
"energy": -283.64853178,
"energy_per_atom": -7.091213294499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -267.16053178,
"band_gap": 1.0927000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.010000Z",
"spacegroup": 48
},
{
"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
},
{
"id": "mp-1518460",
"created_at": "2022-09-04T14:41:35.427132Z",
"structure_string": "Ba2 Nd2 Eu2 Nb2 O12\n1.0\n6.051590 0.013842 0.018253\n0.017278 6.111222 -0.028276\n0.030073 -0.035915 8.600799\nBa Nd Eu Nb O\n2 2 2 2 12\ndirect\n0.992180 0.031616 0.249986 Ba\n0.007820 0.968384 0.750014 Ba\n0.500000 -0.000000 -0.000000 Nd\n0.000000 0.500000 0.500000 Nd\n0.508145 0.539575 0.251586 Eu\n0.491855 0.460425 0.748414 Eu\n0.000000 0.500000 -0.000000 Nb\n0.500000 -0.000000 0.500000 Nb\n0.195176 0.233281 0.958123 O\n0.314317 0.723634 0.544358 O\n0.804824 0.766719 0.041877 O\n0.685683 0.276366 0.455642 O\n0.272506 0.689381 0.954196 O\n0.234457 0.198348 0.539291 O\n0.727494 0.310619 0.045804 O\n0.765543 0.801652 0.460709 O\n0.430068 0.970839 0.268930 O\n0.090983 0.488752 0.230331 O\n0.569932 0.029161 0.731070 O\n0.909017 0.511248 0.769669 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Nd",
"Eu",
"Nb",
"O"
],
"chemical_system": "Ba-Eu-Nb-Nd-O",
"density": 6.499098196982975,
"density_atomic": 0.06287955388557373,
"volume": 318.0684143592269,
"volume_molar": 9.577263812906347,
"formula_full": "Ba2 Nd2 Eu2 Nb2 O12",
"formula_reduced": "BaNdEuNbO6",
"formula_anonymous": "ABCDE6",
"energy": -180.59722321000004,
"energy_per_atom": -9.029861160500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.35322321,
"band_gap": 0.1223,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 13.9999907,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.784000Z",
"spacegroup": 2
},
{
"id": "mp-1520256",
"created_at": "2022-09-04T14:42:24.991344Z",
"structure_string": "K4 Ca4 Nd4 W4 O24\n1.0\n8.475391 0.000000 0.000000\n0.000000 8.431735 0.000000\n0.000000 0.000000 8.420214\nK Ca Nd W O\n4 4 4 4 24\ndirect\n-0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.000000 -0.000000 K\n-0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.000000 Ca\n-0.000000 0.000000 0.500000 Ca\n-0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.750000 0.750000 0.750000 Nd\n0.250000 0.250000 0.750000 Nd\n0.250000 0.750000 0.250000 Nd\n0.750000 0.250000 0.250000 Nd\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\n0.022137 0.202900 0.281864 O\n0.977863 0.797100 0.281864 O\n0.977863 0.202900 0.718136 O\n0.022137 0.797100 0.718136 O\n0.271524 0.023375 0.216955 O\n0.271524 0.976625 0.783045 O\n0.728476 0.976625 0.216955 O\n0.728476 0.023375 0.783045 O\n0.216862 0.274429 0.023012 O\n0.783138 0.274429 0.976988 O\n0.216862 0.725571 0.976988 O\n0.783138 0.725571 0.023012 O\n0.477863 0.297100 0.218136 O\n0.522137 0.702900 0.218136 O\n0.522137 0.297100 0.781864 O\n0.477863 0.702900 0.781864 O\n0.228476 0.476625 0.283045 O\n0.228476 0.523375 0.716955 O\n0.771524 0.523375 0.283045 O\n0.771524 0.476625 0.716955 O\n0.283138 0.225571 0.476988 O\n0.716862 0.225571 0.523012 O\n0.283138 0.774429 0.523012 O\n0.716862 0.774429 0.476988 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Ca",
"Nd",
"W",
"O"
],
"chemical_system": "Ca-K-Nd-O-W",
"density": 5.555166849440895,
"density_atomic": 0.06647527926550867,
"volume": 601.7274457808014,
"volume_molar": 9.059218444118136,
"formula_full": "K4 Ca4 Nd4 W4 O24",
"formula_reduced": "KCaNdWO6",
"formula_anonymous": "ABCDE6",
"energy": -314.89013923,
"energy_per_atom": -7.8722534807499995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -280.65013923,
"band_gap": 2.8502,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.642000Z",
"spacegroup": 48
},
{
"id": "mp-1520426",
"created_at": "2022-09-04T14:40:39.209567Z",
"structure_string": "K1 Ce1 Nd1 Mn1 O6\n1.0\n0.000000 -4.098865 -4.098865\n4.098865 0.000000 -4.098865\n4.098865 -4.098865 0.000000\nK Ce Nd Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ce\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Mn\n0.733286 0.266714 0.266714 O\n0.266714 0.733286 0.733286 O\n0.733286 0.266714 0.733286 O\n0.266714 0.733286 0.266714 O\n0.733286 0.733286 0.266714 O\n0.266714 0.266714 0.733286 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ce",
"Nd",
"Mn",
"O"
],
"chemical_system": "Ce-K-Mn-Nd-O",
"density": 5.7195843021117545,
"density_atomic": 0.07260711160776653,
"volume": 137.72755558741073,
"volume_molar": 8.294147262781118,
"formula_full": "K1 Ce1 Nd1 Mn1 O6",
"formula_reduced": "KCeNdMnO6",
"formula_anonymous": "ABCDE6",
"energy": -78.4938527,
"energy_per_atom": -7.849385270000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.7038527,
"band_gap": 2.0177,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.266000Z",
"spacegroup": 216
},
{
"id": "mp-1044069",
"created_at": "2022-09-04T14:42:27.866782Z",
"structure_string": "La2 Zn2 Fe2 W2 O12\n1.0\n0.000414 5.560707 0.012952\n-0.003618 0.021984 7.821346\n5.963299 0.000375 -0.002729\nLa Zn Fe W O\n2 2 2 2 12\ndirect\n0.979757 0.248313 0.060914 La\n0.479514 0.748763 0.439575 La\n0.475228 0.253726 0.387513 Zn\n0.975357 0.753359 0.113465 Zn\n0.998283 0.002992 0.526273 Fe\n0.498623 0.502826 0.975132 Fe\n0.501403 0.996563 0.975980 W\n0.000802 0.496215 0.524139 W\n0.630695 0.752452 0.034697 O\n0.130578 0.252055 0.464895 O\n0.205135 0.938712 0.180165 O\n0.704484 0.439230 0.319153 O\n0.172045 0.549396 0.217577 O\n0.672131 0.049858 0.282516 O\n0.905066 0.748575 0.491698 O\n0.404439 0.248526 0.007565 O\n0.305321 0.552450 0.680906 O\n0.804148 0.052470 0.817908 O\n0.328361 0.957183 0.711368 O\n0.828626 0.456334 0.788561 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Zn",
"Fe",
"W",
"O"
],
"chemical_system": "Fe-La-O-W-Zn",
"density": 6.914716396822023,
"density_atomic": 0.07711428509912975,
"volume": 259.35531885292295,
"volume_molar": 7.809371184934919,
"formula_full": "La2 Zn2 Fe2 W2 O12",
"formula_reduced": "LaZnFeWO6",
"formula_anonymous": "ABCDE6",
"energy": -161.98876218000004,
"energy_per_atom": -8.099438109000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.35676218,
"band_gap": 2.2058,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0010968,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.323000Z",
"spacegroup": 7
},
{
"id": "mp-1522475",
"created_at": "2022-09-04T14:40:39.851620Z",
"structure_string": "Sm1 Eu1 Nb1 V1 O6\n1.0\n-0.000000 -4.024817 -4.024817\n4.024817 0.000000 -4.024817\n4.024817 -4.024817 -0.000000\nSm Eu Nb V O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 Eu\n-0.000000 0.000000 -0.000000 Nb\n0.500000 0.500000 0.500000 V\n0.751997 0.248003 0.248003 O\n0.248003 0.751997 0.751997 O\n0.751997 0.248003 0.751997 O\n0.248003 0.751997 0.248003 O\n0.751997 0.751997 0.248003 O\n0.248003 0.248003 0.751997 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sm",
"Eu",
"Nb",
"V",
"O"
],
"chemical_system": "Eu-Nb-O-Sm-V",
"density": 6.904222693403385,
"density_atomic": 0.07668873751232744,
"volume": 130.39724377249706,
"volume_molar": 7.852705567140108,
"formula_full": "Sm1 Eu1 Nb1 V1 O6",
"formula_reduced": "SmEuNbVO6",
"formula_anonymous": "ABCDE6",
"energy": -94.28229306,
"energy_per_atom": -9.428229306,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.46029306,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0017837,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.033000Z",
"spacegroup": 216
},
{
"id": "mp-1043786",
"created_at": "2022-09-04T14:42:09.581641Z",
"structure_string": "La4 Mg4 Ti4 Fe4 O24\n1.0\n0.000015 5.371725 -0.002419\n-5.532604 -0.002606 7.717181\n5.532675 -0.002574 7.717232\nLa Mg Ti Fe O\n4 4 4 4 24\ndirect\n0.992465 0.107436 0.143316 La\n0.992465 0.607434 0.643318 La\n0.492469 0.143303 0.607439 La\n0.492464 0.643304 0.107444 La\n0.526023 0.850782 0.401592 Mg\n0.526023 0.350782 0.901592 Mg\n0.026019 0.901591 0.850781 Mg\n0.026019 0.401591 0.350781 Mg\n0.001568 0.996414 0.502220 Ti\n0.001571 0.496412 0.002224 Ti\n0.501568 0.002219 0.996412 Ti\n0.501568 0.502220 0.496408 Ti\n0.000823 0.251842 0.749728 Fe\n0.500806 0.749722 0.751833 Fe\n0.000823 0.751836 0.249735 Fe\n0.500806 0.249724 0.251829 Fe\n0.631903 0.367046 0.387809 O\n0.631903 0.867045 0.887809 O\n0.131900 0.887796 0.367045 O\n0.131903 0.387795 0.867046 O\n0.196091 0.374256 0.567883 O\n0.196091 0.874255 0.067884 O\n0.696099 0.067882 0.374260 O\n0.696100 0.567882 0.874260 O\n0.186495 0.179222 0.380495 O\n0.186496 0.679222 0.880496 O\n0.686493 0.880496 0.179213 O\n0.686491 0.380495 0.679213 O\n0.919738 0.101199 0.644148 O\n0.919740 0.601201 0.144148 O\n0.419740 0.644161 0.601197 O\n0.419743 0.144162 0.101198 O\n0.270204 0.913627 0.638348 O\n0.270204 0.413629 0.138344 O\n0.770200 0.638361 0.413628 O\n0.770201 0.138359 0.913629 O\n0.274694 0.106045 0.836606 O\n0.274691 0.606044 0.336607 O\n0.774696 0.836605 0.606040 O\n0.774700 0.336604 0.106041 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"La",
"Mg",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-La-Mg-O-Ti",
"density": 5.2551176457902695,
"density_atomic": 0.08720146787695382,
"volume": 458.70787469360323,
"volume_molar": 6.906008472813302,
"formula_full": "La4 Mg4 Ti4 Fe4 O24",
"formula_reduced": "LaMgTiFeO6",
"formula_anonymous": "ABCDE6",
"energy": -331.60912844,
"energy_per_atom": -8.290228211,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -306.09712844,
"band_gap": 2.0177,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.816000Z",
"spacegroup": 7
},
{
"id": "mp-558194",
"created_at": "2022-09-04T14:40:39.504903Z",
"structure_string": "Na2 La2 Mg2 W2 O12\n1.0\n3.984551 3.941978 0.000000\n-3.984551 3.941978 0.000000\n0.000000 0.009100 7.958428\nNa La Mg W O\n2 2 2 2 12\ndirect\n0.246933 0.753067 0.500000 Na\n0.753067 0.246933 0.500000 Na\n0.753801 0.246199 0.000000 La\n0.246199 0.753801 0.000000 La\n0.251894 0.251894 0.743830 Mg\n0.748106 0.748106 0.256170 Mg\n0.751596 0.751596 0.738108 W\n0.248404 0.248404 0.261892 W\n0.697705 0.697705 0.510266 O\n0.490730 0.490730 0.187997 O\n0.990826 0.506405 0.771127 O\n0.991173 0.991173 0.706500 O\n0.193172 0.193172 0.005797 O\n0.008827 0.008827 0.293500 O\n0.806828 0.806828 0.994203 O\n0.506405 0.990826 0.771127 O\n0.302295 0.302295 0.489734 O\n0.009174 0.493595 0.228873 O\n0.493595 0.009174 0.228873 O\n0.509270 0.509270 0.812003 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Na",
"La",
"Mg",
"W",
"O"
],
"chemical_system": "La-Mg-Na-O-W",
"density": 6.190821491591155,
"density_atomic": 0.079997998682845,
"volume": 250.00625427256915,
"volume_molar": 7.527864270548814,
"formula_full": "Na2 La2 Mg2 W2 O12",
"formula_reduced": "NaLaMgWO6",
"formula_anonymous": "ABCDE6",
"energy": -158.93010218,
"energy_per_atom": -7.946505109,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.81010218,
"band_gap": 3.4890000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001711,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.102000Z",
"spacegroup": 12
},
{
"id": "mp-1519580",
"created_at": "2022-09-04T14:41:35.343926Z",
"structure_string": "Sr1 Eu1 Ti1 In1 O6\n1.0\n-0.000000 -4.067275 -4.067275\n4.067275 0.000000 -4.067275\n4.067275 -4.067275 -0.000000\nSr Eu Ti In O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Ti\n-0.000000 0.000000 0.000000 In\n0.739588 0.260412 0.260412 O\n0.260412 0.739588 0.739588 O\n0.739588 0.260412 0.739588 O\n0.260412 0.739588 0.260412 O\n0.739588 0.739588 0.260412 O\n0.260412 0.260412 0.739588 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Ti",
"In",
"O"
],
"chemical_system": "Eu-In-O-Sr-Ti",
"density": 6.148500608878532,
"density_atomic": 0.07431207573796618,
"volume": 134.56763117829288,
"volume_molar": 8.103852166954443,
"formula_full": "Sr1 Eu1 Ti1 In1 O6",
"formula_reduced": "SrEuTiInO6",
"formula_anonymous": "ABCDE6",
"energy": -81.43656965,
"energy_per_atom": -8.143656965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.31456965,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9939373,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.566000Z",
"spacegroup": 216
}
]
}