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=107",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=105",
"results": [
{
"id": "mp-1522327",
"created_at": "2022-09-04T14:42:16.789945Z",
"structure_string": "Ba1 Sr1 Tb1 Nb1 O6\n1.0\n0.000000 -4.263392 -4.263392\n4.263392 0.000000 -4.263392\n4.263392 -4.263392 0.000000\nBa Sr Tb Nb 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 Tb\n0.000000 0.000000 0.000000 Nb\n0.763250 0.236750 0.236750 O\n0.236750 0.763250 0.763250 O\n0.763250 0.236750 0.763250 O\n0.236750 0.763250 0.236750 O\n0.763250 0.763250 0.236750 O\n0.236750 0.236750 0.763250 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Tb",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O-Sr-Tb",
"density": 6.136736226810375,
"density_atomic": 0.0645214630349168,
"volume": 154.98718611802622,
"volume_molar": 9.333546507990716,
"formula_full": "Ba1 Sr1 Tb1 Nb1 O6",
"formula_reduced": "BaSrTbNbO6",
"formula_anonymous": "ABCDE6",
"energy": -82.21440476,
"energy_per_atom": -8.221440476,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.09240476,
"band_gap": 2.867,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.117000Z",
"spacegroup": 216
},
{
"id": "mp-1521265",
"created_at": "2022-09-04T14:42:13.987395Z",
"structure_string": "Ba4 Li4 Tb4 Sb4 O24\n1.0\n8.442772 0.000000 0.000000\n0.000000 8.484052 0.000000\n0.000000 0.000000 8.497324\nBa Li Tb Sb O\n4 4 4 4 24\ndirect\n0.000000 -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 Li\n0.500000 -0.000000 0.500000 Li\n0.500000 0.000000 -0.000000 Li\n-0.000000 0.500000 -0.000000 Li\n0.250000 0.250000 0.250000 Tb\n0.750000 0.750000 0.250000 Tb\n0.750000 0.250000 0.750000 Tb\n0.250000 0.750000 0.750000 Tb\n0.750000 0.750000 0.750000 Sb\n0.250000 0.250000 0.750000 Sb\n0.250000 0.750000 0.250000 Sb\n0.750000 0.250000 0.250000 Sb\n0.985774 0.233731 0.261336 O\n0.014226 0.766269 0.261336 O\n0.014226 0.233731 0.738664 O\n0.985774 0.766269 0.738664 O\n0.256554 0.985758 0.235907 O\n0.256554 0.014242 0.764093 O\n0.743446 0.014242 0.235907 O\n0.743446 0.985758 0.764093 O\n0.236245 0.264064 0.985628 O\n0.763755 0.264064 0.014372 O\n0.236245 0.735936 0.014372 O\n0.763755 0.735936 0.985628 O\n0.514226 0.266269 0.238664 O\n0.485774 0.733731 0.238664 O\n0.485774 0.266269 0.761336 O\n0.514226 0.733731 0.761336 O\n0.243446 0.514242 0.264093 O\n0.243446 0.485758 0.735907 O\n0.756554 0.485758 0.264093 O\n0.756554 0.514242 0.735907 O\n0.263755 0.235936 0.514372 O\n0.736245 0.235936 0.485628 O\n0.263755 0.764064 0.485628 O\n0.736245 0.764064 0.514372 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Li",
"Tb",
"Sb",
"O"
],
"chemical_system": "Ba-Li-O-Sb-Tb",
"density": 5.685050957610823,
"density_atomic": 0.06571877058456493,
"volume": 608.6541127322095,
"volume_molar": 9.163501852565684,
"formula_full": "Ba4 Li4 Tb4 Sb4 O24",
"formula_reduced": "BaLiTbSbO6",
"formula_anonymous": "ABCDE6",
"energy": -272.21190201,
"energy_per_atom": -6.805297550250001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -255.72390201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.9999415,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.950000Z",
"spacegroup": 48
},
{
"id": "mp-1517771",
"created_at": "2022-09-04T14:42:16.720135Z",
"structure_string": "K1 Ca1 Eu1 W1 O6\n1.0\n0.000000 -4.194930 -4.194930\n4.194930 -0.000000 -4.194930\n4.194930 -4.194930 -0.000000\nK Ca Eu W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n-0.000000 -0.000000 -0.000000 Ca\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 W\n0.731647 0.268353 0.268353 O\n0.268353 0.731647 0.731647 O\n0.731647 0.268353 0.731647 O\n0.268353 0.731647 0.268353 O\n0.731647 0.731647 0.268353 O\n0.268353 0.268353 0.731647 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ca",
"Eu",
"W",
"O"
],
"chemical_system": "Ca-Eu-K-O-W",
"density": 5.747064142811488,
"density_atomic": 0.06773230410842583,
"volume": 147.64003870283236,
"volume_molar": 8.891090948803043,
"formula_full": "K1 Ca1 Eu1 W1 O6",
"formula_reduced": "KCaEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -82.22432057,
"energy_per_atom": -8.222432057,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.66432057,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.344000Z",
"spacegroup": 216
},
{
"id": "mp-1638691",
"created_at": "2022-09-04T14:42:15.863589Z",
"structure_string": "Ca2 La2 Fe2 W2 O12\n1.0\n-0.074246 5.616222 0.036092\n0.013324 0.050408 8.000819\n5.799723 -0.077536 0.010149\nCa La Fe W O\n2 2 2 2 12\ndirect\n0.525833 0.251762 0.553162 Ca\n0.017999 0.752788 0.947202 Ca\n0.984083 0.246774 0.047587 La\n0.474736 0.747658 0.450787 La\n0.499007 0.500285 0.000784 Fe\n0.997318 0.000474 0.500286 Fe\n0.999595 0.498776 0.502949 W\n0.500989 0.998417 0.996907 W\n0.605915 0.766403 0.031021 O\n0.107301 0.267113 0.470129 O\n0.212165 0.949422 0.192746 O\n0.704964 0.449230 0.299693 O\n0.191749 0.561504 0.218933 O\n0.700481 0.058863 0.288124 O\n0.898625 0.733180 0.536619 O\n0.401945 0.233528 0.962583 O\n0.291714 0.551734 0.708054 O\n0.786585 0.050983 0.799536 O\n0.295765 0.941795 0.710127 O\n0.803231 0.439312 0.782771 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ca",
"La",
"Fe",
"W",
"O"
],
"chemical_system": "Ca-Fe-La-O-W",
"density": 6.5601443467115095,
"density_atomic": 0.07676084959027303,
"volume": 260.5494872288954,
"volume_molar": 7.845328435191151,
"formula_full": "Ca2 La2 Fe2 W2 O12",
"formula_reduced": "CaLaFeWO6",
"formula_anonymous": "ABCDE6",
"energy": -171.87833111,
"energy_per_atom": -8.5939165555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.24633111,
"band_gap": 2.471,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0016708,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.434000Z",
"spacegroup": 1
},
{
"id": "mp-1522021",
"created_at": "2022-09-04T14:42:13.403397Z",
"structure_string": "Sr1 Eu1 Hf1 V1 O6\n1.0\n0.000000 -4.017721 -4.017721\n4.017721 0.000000 -4.017721\n4.017721 -4.017721 -0.000000\nSr Eu Hf V O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Eu\n-0.000000 -0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 V\n0.743946 0.256054 0.256054 O\n0.256054 0.743946 0.743946 O\n0.743946 0.256054 0.743946 O\n0.256054 0.743946 0.256054 O\n0.743946 0.743946 0.256054 O\n0.256054 0.256054 0.743946 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Hf",
"V",
"O"
],
"chemical_system": "Eu-Hf-O-Sr-V",
"density": 7.233314885817469,
"density_atomic": 0.07709579288303406,
"volume": 129.70876394217137,
"volume_molar": 7.811244342653685,
"formula_full": "Sr1 Eu1 Hf1 V1 O6",
"formula_reduced": "SrEuHfVO6",
"formula_anonymous": "ABCDE6",
"energy": -93.78405767,
"energy_per_atom": -9.378405767,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.96205767000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.668000Z",
"spacegroup": 216
},
{
"id": "mp-1522824",
"created_at": "2022-09-04T14:42:14.901759Z",
"structure_string": "Na1 Eu1 Hf1 Sn1 O6\n1.0\n-0.000000 -4.093495 -4.093495\n4.093495 -0.000000 -4.093495\n4.093495 -4.093495 -0.000000\nNa Eu Hf Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Eu\n-0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Sn\n0.749795 0.250205 0.250205 O\n0.250205 0.749795 0.749795 O\n0.749795 0.250205 0.749795 O\n0.250205 0.749795 0.250205 O\n0.749795 0.749795 0.250205 O\n0.250205 0.250205 0.749795 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Eu",
"Hf",
"Sn",
"O"
],
"chemical_system": "Eu-Hf-Na-O-Sn",
"density": 6.877006731408364,
"density_atomic": 0.07289323280639642,
"volume": 137.1869460990965,
"volume_molar": 8.26159099843292,
"formula_full": "Na1 Eu1 Hf1 Sn1 O6",
"formula_reduced": "NaEuHfSnO6",
"formula_anonymous": "ABCDE6",
"energy": -83.41273726,
"energy_per_atom": -8.341273726,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.29073726,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0004835,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.409000Z",
"spacegroup": 216
},
{
"id": "mp-1516493",
"created_at": "2022-09-04T14:42:16.261855Z",
"structure_string": "Ba4 Ca4 Eu4 Nb4 O24\n1.0\n8.513150 0.000000 0.000000\n0.000000 8.470682 0.000000\n0.000000 0.000000 8.483193\nBa Ca Eu Nb O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n-0.000000 0.500000 0.000000 Ba\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.750000 Ca\n0.250000 0.750000 0.250000 Ca\n0.750000 0.250000 0.250000 Ca\n-0.000000 0.500000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n0.500000 0.000000 0.000000 Eu\n-0.000000 0.000000 0.500000 Eu\n0.250000 0.250000 0.250000 Nb\n0.750000 0.750000 0.250000 Nb\n0.750000 0.250000 0.750000 Nb\n0.250000 0.750000 0.750000 Nb\n0.017336 0.188997 0.286956 O\n0.982664 0.811003 0.286956 O\n0.982664 0.188997 0.713044 O\n0.017336 0.811003 0.713044 O\n0.306335 0.017717 0.202599 O\n0.306335 0.982283 0.797401 O\n0.693665 0.982283 0.202599 O\n0.693665 0.017717 0.797401 O\n0.219592 0.283184 0.015972 O\n0.780408 0.283184 0.984028 O\n0.219592 0.716816 0.984028 O\n0.780408 0.716816 0.015972 O\n0.482664 0.311003 0.213044 O\n0.517336 0.688997 0.213044 O\n0.517336 0.311003 0.786956 O\n0.482664 0.688997 0.786956 O\n0.193665 0.482283 0.297401 O\n0.193665 0.517717 0.702599 O\n0.806335 0.517717 0.297401 O\n0.806335 0.482283 0.702599 O\n0.280408 0.216816 0.484028 O\n0.719592 0.216816 0.515972 O\n0.280408 0.783184 0.515972 O\n0.719592 0.783184 0.484028 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Eu",
"Nb",
"O"
],
"chemical_system": "Ba-Ca-Eu-Nb-O",
"density": 5.627281480871395,
"density_atomic": 0.06538708548950872,
"volume": 611.7415954625773,
"volume_molar": 9.209984991556544,
"formula_full": "Ba4 Ca4 Eu4 Nb4 O24",
"formula_reduced": "BaCaEuNbO6",
"formula_anonymous": "ABCDE6",
"energy": -343.6987019,
"energy_per_atom": -8.5924675475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -327.2107019,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0118379,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.474000Z",
"spacegroup": 48
},
{
"id": "mp-1522834",
"created_at": "2022-09-04T14:42:13.629794Z",
"structure_string": "Sr1 Ca1 Gd1 Nb1 O6\n1.0\n0.000000 -4.233763 -4.233763\n4.233763 0.000000 -4.233763\n4.233763 -4.233763 0.000000\nSr Ca Gd Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n-0.000000 -0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Nb\n0.736508 0.263492 0.263492 O\n0.263492 0.736508 0.736508 O\n0.736508 0.263492 0.736508 O\n0.263492 0.736508 0.263492 O\n0.736508 0.736508 0.263492 O\n0.263492 0.263492 0.736508 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Gd",
"Nb",
"O"
],
"chemical_system": "Ca-Gd-Nb-O-Sr",
"density": 5.184191935119704,
"density_atomic": 0.0658855802050945,
"volume": 151.77827938785862,
"volume_molar": 9.140301627842913,
"formula_full": "Sr1 Ca1 Gd1 Nb1 O6",
"formula_reduced": "SrCaGdNbO6",
"formula_anonymous": "ABCDE6",
"energy": -90.40132049,
"energy_per_atom": -9.040132049,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.27932049,
"band_gap": 2.4736,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.895000Z",
"spacegroup": 216
},
{
"id": "mp-1522331",
"created_at": "2022-09-04T14:42:13.735104Z",
"structure_string": "Ba4 Sr4 Dy4 W4 O24\n1.0\n8.432465 0.000000 0.000000\n0.000000 8.443328 0.000000\n0.000000 0.000000 8.473876\nBa Sr Dy 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 -0.000000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n-0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 -0.000000 Sr\n-0.000000 0.500000 -0.000000 Sr\n-0.000000 -0.000000 0.500000 Sr\n0.752225 0.750463 0.750380 Dy\n0.247775 0.249537 0.750380 Dy\n0.247775 0.750463 0.249620 Dy\n0.752225 0.249537 0.249620 Dy\n0.247142 0.249493 0.250106 W\n0.752858 0.750507 0.250106 W\n0.752858 0.249493 0.749894 W\n0.247142 0.750507 0.749894 W\n0.014154 0.218823 0.281649 O\n0.985846 0.781177 0.281649 O\n0.985846 0.218823 0.718351 O\n0.014154 0.781177 0.718351 O\n0.279782 0.014429 0.218147 O\n0.279782 0.985571 0.781853 O\n0.720218 0.985571 0.218147 O\n0.720218 0.014429 0.781853 O\n0.217881 0.281714 0.013116 O\n0.782119 0.281714 0.986884 O\n0.217881 0.718286 0.986884 O\n0.782119 0.718286 0.013116 O\n0.483781 0.269923 0.226780 O\n0.516219 0.730077 0.226780 O\n0.516219 0.269923 0.773220 O\n0.483781 0.730077 0.773220 O\n0.216877 0.485577 0.276992 O\n0.216877 0.514423 0.723008 O\n0.783123 0.514423 0.276992 O\n0.783123 0.485577 0.723008 O\n0.268563 0.225254 0.487814 O\n0.731437 0.225254 0.512186 O\n0.268563 0.774746 0.512186 O\n0.731437 0.774746 0.487814 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Dy",
"W",
"O"
],
"chemical_system": "Ba-Dy-O-Sr-W",
"density": 7.346307402741424,
"density_atomic": 0.06629941230491787,
"volume": 603.3235983455759,
"volume_molar": 9.083249082666903,
"formula_full": "Ba4 Sr4 Dy4 W4 O24",
"formula_reduced": "BaSrDyWO6",
"formula_anonymous": "ABCDE6",
"energy": -329.06144068000003,
"energy_per_atom": -8.226536017,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -294.82144068,
"band_gap": 1.8686,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.567000Z",
"spacegroup": 16
},
{
"id": "mp-1519324",
"created_at": "2022-09-04T14:42:15.122102Z",
"structure_string": "Sr1 Eu1 Ti1 Nb1 O6\n1.0\n-0.000000 -4.018656 -4.018656\n4.018656 0.000000 -4.018656\n4.018656 -4.018656 -0.000000\nSr Eu Ti Nb 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 Nb\n0.747404 0.252596 0.252596 O\n0.252596 0.747404 0.747404 O\n0.747404 0.252596 0.747404 O\n0.252596 0.747404 0.252596 O\n0.747404 0.747404 0.252596 O\n0.252596 0.252596 0.747404 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Ti",
"Nb",
"O"
],
"chemical_system": "Eu-Nb-O-Sr-Ti",
"density": 6.094052931432553,
"density_atomic": 0.07704199295880455,
"volume": 129.7993420983689,
"volume_molar": 7.816699086717713,
"formula_full": "Sr1 Eu1 Ti1 Nb1 O6",
"formula_reduced": "SrEuTiNbO6",
"formula_anonymous": "ABCDE6",
"energy": -93.27353582,
"energy_per_atom": -9.327353582,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.15153582,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.618322,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.662000Z",
"spacegroup": 216
},
{
"id": "mp-1522937",
"created_at": "2022-09-04T14:42:13.724718Z",
"structure_string": "Sr1 Pr1 Mn1 Nb1 O6\n1.0\n-0.000000 -4.083266 -4.083266\n4.083266 0.000000 -4.083266\n4.083266 -4.083266 -0.000000\nSr Pr Mn Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Pr\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Nb\n0.743737 0.256263 0.256263 O\n0.256263 0.743737 0.743737 O\n0.743737 0.256263 0.743737 O\n0.256263 0.743737 0.256263 O\n0.743737 0.743737 0.256263 O\n0.256263 0.256263 0.743737 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Pr",
"Mn",
"Nb",
"O"
],
"chemical_system": "Mn-Nb-O-Pr-Sr",
"density": 5.76072296294564,
"density_atomic": 0.07344242135170363,
"volume": 136.16108804626214,
"volume_molar": 8.199812382493441,
"formula_full": "Sr1 Pr1 Mn1 Nb1 O6",
"formula_reduced": "SrPrMnNbO6",
"formula_anonymous": "ABCDE6",
"energy": -85.49886395,
"energy_per_atom": -8.549886395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.70886395,
"band_gap": 0.7382999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.768000Z",
"spacegroup": 216
},
{
"id": "mp-1521843",
"created_at": "2022-09-04T14:42:15.192017Z",
"structure_string": "Sr1 Pr1 Eu1 Sb1 O6\n1.0\n0.000000 -4.297961 -4.297961\n4.297961 0.000000 -4.297961\n4.297961 -4.297961 0.000000\nSr Pr Eu Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Pr\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Sb\n0.732072 0.267928 0.267928 O\n0.267928 0.732072 0.732072 O\n0.732072 0.267928 0.732072 O\n0.267928 0.732072 0.267928 O\n0.732072 0.732072 0.267928 O\n0.267928 0.267928 0.732072 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Pr",
"Eu",
"Sb",
"O"
],
"chemical_system": "Eu-O-Pr-Sb-Sr",
"density": 6.256233975443429,
"density_atomic": 0.06297709059082551,
"volume": 158.78790058708742,
"volume_molar": 9.562430883203271,
"formula_full": "Sr1 Pr1 Eu1 Sb1 O6",
"formula_reduced": "SrPrEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -79.44134226,
"energy_per_atom": -7.944134226,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.31934226,
"band_gap": 0.4518000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.588000Z",
"spacegroup": 216
}
]
}