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=22",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=20",
"results": [
{
"id": "mp-1521050",
"created_at": "2022-09-04T14:41:04.341230Z",
"structure_string": "Sr1 Eu1 Hf1 Fe1 O6\n1.0\n-0.000000 -4.018222 -4.018222\n4.018222 0.000000 -4.018222\n4.018222 -4.018222 -0.000000\nSr Eu Hf Fe 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 Hf\n0.000000 0.000000 0.000000 Fe\n0.754224 0.245776 0.245776 O\n0.245776 0.754224 0.754224 O\n0.754224 0.245776 0.754224 O\n0.245776 0.754224 0.245776 O\n0.754224 0.754224 0.245776 O\n0.245776 0.245776 0.754224 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Hf",
"Fe",
"O"
],
"chemical_system": "Eu-Fe-Hf-O-Sr",
"density": 7.293361042049145,
"density_atomic": 0.07706695910287494,
"volume": 129.75729309172854,
"volume_molar": 7.814166836349648,
"formula_full": "Sr1 Eu1 Hf1 Fe1 O6",
"formula_reduced": "SrEuHfFeO6",
"formula_anonymous": "ABCDE6",
"energy": -90.37941414,
"energy_per_atom": -9.037941413999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.00141414000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.0000007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.057000Z",
"spacegroup": 216
},
{
"id": "mp-1520946",
"created_at": "2022-09-04T14:41:04.253443Z",
"structure_string": "Ba4 Na4 Ce4 Sb4 O24\n1.0\n8.447401 0.000000 0.000000\n0.000000 8.469926 0.000000\n0.000000 0.000000 8.456200\nBa Na Ce Sb 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 Ce\n0.250000 0.250000 0.750000 Ce\n0.250000 0.750000 0.250000 Ce\n0.750000 0.250000 0.250000 Ce\n0.250000 0.250000 0.250000 Sb\n0.750000 0.750000 0.250000 Sb\n0.750000 0.250000 0.750000 Sb\n0.250000 0.750000 0.750000 Sb\n0.012499 0.229799 0.264465 O\n0.987501 0.770201 0.264465 O\n0.987501 0.229799 0.735535 O\n0.012499 0.770201 0.735535 O\n0.260491 0.012598 0.230914 O\n0.260491 0.987402 0.769086 O\n0.739509 0.987402 0.230914 O\n0.739509 0.012598 0.769086 O\n0.232228 0.268547 0.013275 O\n0.767772 0.268547 0.986725 O\n0.232228 0.731453 0.986725 O\n0.767772 0.731453 0.013275 O\n0.487501 0.270201 0.235535 O\n0.512499 0.729799 0.235535 O\n0.512499 0.270201 0.764465 O\n0.487501 0.729799 0.764465 O\n0.239509 0.487402 0.269086 O\n0.239509 0.512598 0.730914 O\n0.760491 0.512598 0.269086 O\n0.760491 0.487402 0.730914 O\n0.267772 0.231453 0.486725 O\n0.732228 0.231453 0.513275 O\n0.267772 0.768547 0.513275 O\n0.732228 0.768547 0.486725 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Ce",
"Sb",
"O"
],
"chemical_system": "Ba-Ce-Na-O-Sb",
"density": 5.688784044184068,
"density_atomic": 0.06611226229748955,
"volume": 605.0314814521012,
"volume_molar": 9.108961863839706,
"formula_full": "Ba4 Na4 Ce4 Sb4 O24",
"formula_reduced": "BaNaCeSbO6",
"formula_anonymous": "ABCDE6",
"energy": -284.82268026,
"energy_per_atom": -7.120567006500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -268.33468026,
"band_gap": 1.8795,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.874000Z",
"spacegroup": 48
},
{
"id": "mp-1523038",
"created_at": "2022-09-04T14:40:41.149025Z",
"structure_string": "Sr1 Gd1 Zr1 Ti1 O6\n1.0\n-0.000000 -4.055127 -4.055127\n4.055127 -0.000000 -4.055127\n4.055127 -4.055127 0.000000\nSr Gd Zr Ti O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Gd\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 -0.000000 Ti\n0.756973 0.243027 0.243027 O\n0.243027 0.756973 0.756973 O\n0.756973 0.243027 0.756973 O\n0.243027 0.756973 0.243027 O\n0.756973 0.756973 0.243027 O\n0.243027 0.243027 0.756973 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Gd",
"Zr",
"Ti",
"O"
],
"chemical_system": "Gd-O-Sr-Ti-Zr",
"density": 5.975970065296277,
"density_atomic": 0.07498193156975452,
"volume": 133.36546272747262,
"volume_molar": 8.031455890673737,
"formula_full": "Sr1 Gd1 Zr1 Ti1 O6",
"formula_reduced": "SrGdZrTiO6",
"formula_anonymous": "ABCDE6",
"energy": -96.71106757,
"energy_per_atom": -9.671106757,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.58906757,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.1758226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.381000Z",
"spacegroup": 216
},
{
"id": "mp-1518073",
"created_at": "2022-09-04T14:41:48.164538Z",
"structure_string": "Sr1 Eu1 Zr1 Cr1 O6\n1.0\n-0.000000 -4.032950 -4.032950\n4.032950 0.000000 -4.032950\n4.032950 -4.032950 0.000000\nSr Eu Zr Cr 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 Zr\n-0.000000 -0.000000 0.000000 Cr\n0.757958 0.242042 0.242042 O\n0.242042 0.757958 0.757958 O\n0.757958 0.242042 0.757958 O\n0.242042 0.757958 0.242042 O\n0.757958 0.757958 0.242042 O\n0.242042 0.242042 0.757958 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Zr",
"Cr",
"O"
],
"chemical_system": "Cr-Eu-O-Sr-Zr",
"density": 6.060454344931107,
"density_atomic": 0.07622571226918365,
"volume": 131.1893284077947,
"volume_molar": 7.900406018816064,
"formula_full": "Sr1 Eu1 Zr1 Cr1 O6",
"formula_reduced": "SrEuZrCrO6",
"formula_anonymous": "ABCDE6",
"energy": -91.17948452,
"energy_per_atom": -9.117948452,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.05848451999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0000006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.257000Z",
"spacegroup": 216
},
{
"id": "mp-1520565",
"created_at": "2022-09-04T14:41:04.705770Z",
"structure_string": "Ba2 Sr2 Tb2 Ce2 O12\n1.0\n6.153600 0.004843 -0.000843\n0.004088 6.242850 0.003675\n-0.001465 0.004697 8.745147\nBa Sr Tb Ce O\n2 2 2 2 12\ndirect\n0.508863 0.534993 0.249936 Ba\n0.491137 0.465007 0.750065 Ba\n0.989007 0.040325 0.250411 Sr\n0.010993 0.959675 0.749589 Sr\n0.500000 0.000000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.000000 0.500000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.204115 0.208861 0.947187 O\n0.290959 0.715078 0.543572 O\n0.795885 0.791139 0.052813 O\n0.709041 0.284922 0.456428 O\n0.286818 0.709648 0.958112 O\n0.208069 0.204458 0.551916 O\n0.713182 0.290352 0.041888 O\n0.791931 0.795542 0.448084 O\n0.400756 0.982900 0.251987 O\n0.077257 0.454855 0.248187 O\n0.599244 0.017100 0.748013 O\n0.922743 0.545145 0.751813 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Tb",
"Ce",
"O"
],
"chemical_system": "Ba-Ce-O-Sr-Tb",
"density": 6.128881079997296,
"density_atomic": 0.05953208458401516,
"volume": 335.95329543306735,
"volume_molar": 10.115790169418982,
"formula_full": "Ba2 Sr2 Tb2 Ce2 O12",
"formula_reduced": "BaSrTbCeO6",
"formula_anonymous": "ABCDE6",
"energy": -155.08735449,
"energy_per_atom": -7.7543677245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.84335449,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.272000Z",
"spacegroup": 2
},
{
"id": "mp-1516727",
"created_at": "2022-09-04T14:41:36.143169Z",
"structure_string": "Ba1 Eu1 Dy1 V1 O6\n1.0\n-0.000000 -4.237565 -4.237565\n4.237565 0.000000 -4.237565\n4.237565 -4.237565 -0.000000\nBa Eu Dy V O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 V\n0.731267 0.268733 0.268733 O\n0.268733 0.731267 0.731267 O\n0.731267 0.268733 0.731267 O\n0.268733 0.731267 0.268733 O\n0.731267 0.731267 0.268733 O\n0.268733 0.268733 0.731267 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Dy",
"V",
"O"
],
"chemical_system": "Ba-Dy-Eu-O-V",
"density": 6.532812666977628,
"density_atomic": 0.0657083989980204,
"volume": 152.18754607460866,
"volume_molar": 9.164948243802788,
"formula_full": "Ba1 Eu1 Dy1 V1 O6",
"formula_reduced": "BaEuDyVO6",
"formula_anonymous": "ABCDE6",
"energy": -86.77174146,
"energy_per_atom": -8.677174146,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.94974146,
"band_gap": 0.0907,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9375644,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.109000Z",
"spacegroup": 216
},
{
"id": "mp-1520523",
"created_at": "2022-09-04T14:41:36.852742Z",
"structure_string": "Ba2 Sr2 Tb2 Sb2 O12\n1.0\n5.976392 0.009640 0.009618\n0.011650 5.976476 -0.012439\n0.015748 -0.015601 8.443569\nBa Sr Tb Sb O\n2 2 2 2 12\ndirect\n0.996383 0.015232 0.249837 Ba\n0.003617 0.984768 0.750163 Ba\n0.502888 0.525312 0.251403 Sr\n0.497112 0.474688 0.748597 Sr\n0.500000 0.000000 -0.000000 Tb\n-0.000000 0.500000 0.500000 Tb\n-0.000000 0.500000 -0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.212980 0.241550 0.971615 O\n0.295182 0.734167 0.531842 O\n0.787020 0.758450 0.028385 O\n0.704818 0.265833 0.468158 O\n0.262521 0.707707 0.965619 O\n0.241838 0.213965 0.524006 O\n0.737479 0.292293 0.034381 O\n0.758162 0.786035 0.475994 O\n0.452753 0.977160 0.264420 O\n0.065819 0.499760 0.235009 O\n0.547247 0.022840 0.735580 O\n0.934181 0.500240 0.764991 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Tb",
"Sb",
"O"
],
"chemical_system": "Ba-O-Sb-Sr-Tb",
"density": 6.625241399512211,
"density_atomic": 0.06631687114458854,
"volume": 301.5823825040636,
"volume_molar": 9.080857790878163,
"formula_full": "Ba2 Sr2 Tb2 Sb2 O12",
"formula_reduced": "BaSrTbSbO6",
"formula_anonymous": "ABCDE6",
"energy": -145.68519413,
"energy_per_atom": -7.2842597065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.44119413,
"band_gap": 3.5885,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.728000Z",
"spacegroup": 2
},
{
"id": "mp-1518824",
"created_at": "2022-09-04T14:40:41.613044Z",
"structure_string": "Na1 Sr1 Nd1 W1 O6\n1.0\n0.000000 -4.260139 -4.260139\n4.260139 -0.000000 -4.260139\n4.260139 -4.260139 -0.000000\nNa Sr Nd W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Sr\n-0.000000 -0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 W\n0.728723 0.271277 0.271277 O\n0.271277 0.728723 0.728723 O\n0.728723 0.271277 0.728723 O\n0.271277 0.728723 0.271277 O\n0.728723 0.728723 0.271277 O\n0.271277 0.271277 0.728723 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Nd",
"W",
"O"
],
"chemical_system": "Na-Nd-O-Sr-W",
"density": 5.741804060726759,
"density_atomic": 0.06466937977802555,
"volume": 154.6326875922501,
"volume_molar": 9.312198107776355,
"formula_full": "Na1 Sr1 Nd1 W1 O6",
"formula_reduced": "NaSrNdWO6",
"formula_anonymous": "ABCDE6",
"energy": -78.47702401000001,
"energy_per_atom": -7.847702401000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.91702401,
"band_gap": 2.8581000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.917000Z",
"spacegroup": 216
},
{
"id": "mp-1218114",
"created_at": "2022-09-04T14:39:30.383240Z",
"structure_string": "Sr2 Nd2 Ni2 Ru2 O12\n1.0\n5.536862 0.000000 0.000000\n0.000000 5.473125 0.000000\n0.000000 5.478557 8.062162\nSr Nd Ni Ru O\n2 2 2 2 12\ndirect\n0.218902 0.244466 0.249404 Sr\n0.781098 0.244466 0.749404 Sr\n0.298716 0.762333 0.751797 Nd\n0.701284 0.762333 0.251797 Nd\n0.757454 0.499773 0.000805 Ni\n0.242546 0.499773 0.500805 Ni\n0.754119 0.002953 0.499703 Ru\n0.245881 0.002953 0.999703 Ru\n0.956083 0.752519 0.453518 O\n0.043917 0.752519 0.953518 O\n0.528660 0.237913 0.540132 O\n0.471340 0.237913 0.040132 O\n0.045190 0.156272 0.545566 O\n0.954810 0.156272 0.045566 O\n0.471598 0.818946 0.458558 O\n0.528402 0.818946 0.958558 O\n0.762078 0.331702 0.257682 O\n0.237922 0.331702 0.757682 O\n0.728905 0.693123 0.742836 O\n0.271095 0.693123 0.242836 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Nd",
"Ni",
"Ru",
"O"
],
"chemical_system": "Nd-Ni-O-Ru-Sr",
"density": 6.628444426312027,
"density_atomic": 0.08186144542529289,
"volume": 244.31525605362157,
"volume_molar": 7.356504308851757,
"formula_full": "Sr2 Nd2 Ni2 Ru2 O12",
"formula_reduced": "SrNdNiRuO6",
"formula_anonymous": "ABCDE6",
"energy": -149.9968583,
"energy_per_atom": -7.499842915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.6708583,
"band_gap": 0.0442999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 10.002843,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.060000Z",
"spacegroup": 7
},
{
"id": "mp-1517448",
"created_at": "2022-09-04T14:41:04.510965Z",
"structure_string": "Ba1 Sr1 Tb1 Se1 O6\n1.0\n-0.000000 -4.184161 -4.184161\n4.184161 0.000000 -4.184161\n4.184161 -4.184161 0.000000\nBa Sr Tb Se 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 Tb\n0.000000 0.000000 0.000000 Se\n0.766127 0.233873 0.233873 O\n0.233873 0.766127 0.766127 O\n0.766127 0.233873 0.766127 O\n0.233873 0.766127 0.233873 O\n0.766127 0.766127 0.233873 O\n0.233873 0.233873 0.766127 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Tb",
"Se",
"O"
],
"chemical_system": "Ba-O-Se-Sr-Tb",
"density": 6.333921570668471,
"density_atomic": 0.06825663009383016,
"volume": 146.5059143156251,
"volume_molar": 8.822792381811935,
"formula_full": "Ba1 Sr1 Tb1 Se1 O6",
"formula_reduced": "BaSrTbSeO6",
"formula_anonymous": "ABCDE6",
"energy": -67.98933951000001,
"energy_per_atom": -6.798933951,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.86733951,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4398779,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.637000Z",
"spacegroup": 216
},
{
"id": "mp-1517174",
"created_at": "2022-09-04T14:40:11.741361Z",
"structure_string": "Sr4 Ca4 Bi4 Sb4 O24\n1.0\n8.440134 0.000000 0.000000\n0.000000 8.432839 0.000000\n0.000000 0.000000 8.442511\nSr Ca Bi Sb O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.000000 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\n0.753268 0.750485 0.749685 Bi\n0.246732 0.249515 0.749685 Bi\n0.246732 0.750485 0.250315 Bi\n0.753268 0.249515 0.250315 Bi\n0.247303 0.250046 0.250526 Sb\n0.752697 0.749954 0.250526 Sb\n0.752697 0.250046 0.749474 Sb\n0.247303 0.749954 0.749474 Sb\n0.018390 0.194461 0.296650 O\n0.981610 0.805539 0.296650 O\n0.981610 0.194461 0.703350 O\n0.018390 0.805539 0.703350 O\n0.284139 0.019505 0.200797 O\n0.284139 0.980495 0.799203 O\n0.715861 0.980495 0.200797 O\n0.715861 0.019505 0.799203 O\n0.191468 0.293018 0.021588 O\n0.808532 0.293018 0.978412 O\n0.191468 0.706982 0.978412 O\n0.808532 0.706982 0.021588 O\n0.479857 0.294048 0.214260 O\n0.520143 0.705952 0.214260 O\n0.520143 0.294048 0.785740 O\n0.479857 0.705952 0.785740 O\n0.213477 0.481784 0.297287 O\n0.213477 0.518216 0.702713 O\n0.786523 0.518216 0.297287 O\n0.786523 0.481784 0.702713 O\n0.296827 0.216444 0.482865 O\n0.703173 0.216444 0.517135 O\n0.296827 0.783556 0.517135 O\n0.703173 0.783556 0.482865 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Bi",
"Sb",
"O"
],
"chemical_system": "Bi-Ca-O-Sb-Sr",
"density": 6.128649501329817,
"density_atomic": 0.06656795348788792,
"volume": 600.8897360390991,
"volume_molar": 9.046606429166749,
"formula_full": "Sr4 Ca4 Bi4 Sb4 O24",
"formula_reduced": "SrCaBiSbO6",
"formula_anonymous": "ABCDE6",
"energy": -262.02460853,
"energy_per_atom": -6.55061521325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -245.53660853,
"band_gap": 2.0045,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.776000Z",
"spacegroup": 16
},
{
"id": "mp-1517370",
"created_at": "2022-09-04T14:40:42.110613Z",
"structure_string": "Ba1 Na1 Tb1 W1 O6\n1.0\n-0.000000 -4.219913 -4.219913\n4.219913 0.000000 -4.219913\n4.219913 -4.219913 -0.000000\nBa Na Tb W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 W\n0.731980 0.268020 0.268020 O\n0.268020 0.731980 0.731980 O\n0.731980 0.268020 0.731980 O\n0.268020 0.731980 0.268020 O\n0.731980 0.731980 0.268020 O\n0.268020 0.268020 0.731980 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Tb",
"W",
"O"
],
"chemical_system": "Ba-Na-O-Tb-W",
"density": 6.618999637085073,
"density_atomic": 0.06653643259751062,
"volume": 150.29360020684575,
"volume_molar": 9.050892157727901,
"formula_full": "Ba1 Na1 Tb1 W1 O6",
"formula_reduced": "BaNaTbWO6",
"formula_anonymous": "ABCDE6",
"energy": -79.71744724,
"energy_per_atom": -7.971744724,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.15744724,
"band_gap": 2.8478000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.781000Z",
"spacegroup": 216
}
]
}