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_full&page=10205",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=10203",
"results": [
{
"id": "mp-4103",
"created_at": "2022-09-04T14:47:07.365517Z",
"structure_string": "Sr4 Sb4 O14\n1.0\n-3.786426 3.899742 5.262667\n3.786426 -3.899742 5.262667\n3.786426 3.899742 -5.262667\nSr Sb O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.949087 0.585817 0.772575 O\n0.050913 0.823488 0.636730 O\n0.686758 0.914183 0.363270 O\n0.313242 0.676512 0.227425 O\n0.050913 0.414183 0.227425 O\n0.949087 0.176512 0.363270 O\n0.313242 0.085817 0.636730 O\n0.686758 0.323488 0.772575 O\n0.098083 0.250000 0.848083 O\n0.901917 0.750000 0.151917 O\n0.689710 0.408415 0.281295 O\n0.310290 0.591585 0.718705 O\n0.372880 0.091585 0.281295 O\n0.627120 0.908415 0.718705 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"Sb",
"O"
],
"chemical_system": "O-Sb-Sr",
"density": 5.670777540060726,
"density_atomic": 0.07077688578130131,
"volume": 310.83594251348404,
"volume_molar": 8.508626359470313,
"formula_full": "Sr4 Sb4 O14",
"formula_reduced": "Sr2Sb2O7",
"formula_anonymous": "A2B2C7",
"energy": -149.09854278,
"energy_per_atom": -6.77720649,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.48054278,
"band_gap": 1.3703999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011065,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.794000Z",
"spacegroup": 74
},
{
"id": "mp-1210102",
"created_at": "2022-09-04T14:44:17.942201Z",
"structure_string": "Sr4 Sb4 S10 O30\n1.0\n8.523335 3.745800 -0.427758\n8.523335 -3.745800 -0.427758\n0.971004 0.000000 -12.735951\nSr Sb S O\n4 4 10 30\ndirect\n0.435309 0.276554 0.982427 Sr\n0.564691 0.723446 0.017573 Sr\n0.723446 0.564691 0.517573 Sr\n0.276554 0.435309 0.482427 Sr\n0.150948 0.104727 0.755641 Sb\n0.849052 0.895273 0.244359 Sb\n0.895273 0.849052 0.744359 Sb\n0.104727 0.150948 0.255641 Sb\n0.233551 0.028655 0.497194 S\n0.766449 0.971345 0.502806 S\n0.971345 0.766449 0.002806 S\n0.028655 0.233551 0.997194 S\n0.284205 0.715795 0.750000 S\n0.715795 0.284205 0.250000 S\n0.494138 0.065405 0.771234 S\n0.505862 0.934595 0.228766 S\n0.934595 0.505862 0.728766 S\n0.065405 0.494138 0.271234 S\n0.806021 0.092702 0.819335 O\n0.193979 0.907298 0.180665 O\n0.907298 0.193979 0.680665 O\n0.092702 0.806021 0.319335 O\n0.393999 0.273552 0.786970 O\n0.606001 0.726448 0.213030 O\n0.726448 0.606001 0.713030 O\n0.273552 0.393999 0.286970 O\n0.524630 0.963458 0.880011 O\n0.475370 0.036542 0.119989 O\n0.036542 0.475370 0.619989 O\n0.963458 0.524630 0.380011 O\n0.400942 0.622548 0.650678 O\n0.599058 0.377452 0.349322 O\n0.377452 0.599058 0.849322 O\n0.622548 0.400942 0.150678 O\n0.135735 0.053483 0.916052 O\n0.864265 0.946517 0.083948 O\n0.946517 0.864265 0.583948 O\n0.053483 0.135735 0.416052 O\n0.602257 0.164424 0.551429 O\n0.397743 0.835576 0.448571 O\n0.835576 0.397743 0.948571 O\n0.164424 0.602257 0.051429 O\n0.741727 0.258273 0.750000 O\n0.258273 0.741727 0.250000 O\n0.282871 0.152650 0.485155 O\n0.717129 0.847350 0.514845 O\n0.847350 0.717129 0.014845 O\n0.152650 0.282871 0.985155 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Sr",
"Sb",
"S",
"O"
],
"chemical_system": "O-S-Sb-Sr",
"density": 3.3577835748172093,
"density_atomic": 0.05925031231139437,
"volume": 810.122312060272,
"volume_molar": 10.163897075090839,
"formula_full": "Sr4 Sb4 S10 O30",
"formula_reduced": "Sr2Sb2(SO3)5",
"formula_anonymous": "A2B2C5D15",
"energy": -272.31000854,
"energy_per_atom": -5.673125177916667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -272.31000854,
"band_gap": 0.3474999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0109505,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.699000Z",
"spacegroup": 15
},
{
"id": "mp-1105180",
"created_at": "2022-09-04T14:46:04.529868Z",
"structure_string": "Sr4 Sb4 Se6 O4\n1.0\n9.700210 0.000000 0.000000\n0.000000 4.058578 0.000000\n-7.624695 0.000000 11.281862\nSr Sb Se O\n4 4 6 4\ndirect\n0.107813 0.485756 0.398166 Sr\n0.892187 0.985756 0.101834 Sr\n0.892187 0.514244 0.601834 Sr\n0.107813 0.014244 0.898166 Sr\n0.645030 0.487938 0.191478 Sb\n0.354970 0.987938 0.308522 Sb\n0.354970 0.512062 0.808522 Sb\n0.645030 0.012062 0.691478 Sb\n0.500000 0.500000 0.500000 Se\n0.500000 0.000000 0.000000 Se\n0.209338 0.492810 0.132446 Se\n0.790662 0.992810 0.367554 Se\n0.790662 0.507190 0.867554 Se\n0.209338 0.007190 0.632446 Se\n0.152426 0.511591 0.812536 O\n0.847574 0.011591 0.687464 O\n0.847574 0.488409 0.187464 O\n0.152426 0.988409 0.312536 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"Sb",
"Se",
"O"
],
"chemical_system": "O-Sb-Se-Sr",
"density": 5.1416634993529495,
"density_atomic": 0.04052627514608289,
"volume": 444.15628959524076,
"volume_molar": 14.859842752121462,
"formula_full": "Sr4 Sb4 Se6 O4",
"formula_reduced": "Sr2Sb2Se3O2",
"formula_anonymous": "A2B2C2D3",
"energy": -96.96303738,
"energy_per_atom": -5.38683541,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.38303738,
"band_gap": 0.7681999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0061822,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.347000Z",
"spacegroup": 14
},
{
"id": "mp-675680",
"created_at": "2022-09-04T14:43:52.510469Z",
"structure_string": "Sr4 Sb8 O24\n1.0\n3.706887 6.297457 0.000000\n-3.706887 6.297457 0.000000\n0.000000 4.160036 11.891605\nSr Sb O\n4 8 24\ndirect\n0.817354 0.600865 0.717626 Sr\n0.600865 0.817354 0.217626 Sr\n0.399135 0.182646 0.782374 Sr\n0.182646 0.399135 0.282374 Sr\n0.500000 0.000000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.242924 0.757076 0.750000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.757076 0.242924 0.250000 Sb\n0.792966 0.879375 0.529120 O\n0.111211 0.557021 0.834127 O\n0.479775 0.580845 0.837951 O\n0.399908 0.270606 0.555553 O\n0.419155 0.520225 0.662049 O\n0.270606 0.399908 0.055553 O\n0.713121 0.213081 0.962430 O\n0.557021 0.111211 0.334127 O\n0.786919 0.286879 0.537570 O\n0.111115 0.998637 0.832972 O\n0.998637 0.111115 0.332972 O\n0.120625 0.207034 0.970880 O\n0.001363 0.888885 0.667028 O\n0.879375 0.792966 0.029120 O\n0.888885 0.001363 0.167028 O\n0.213081 0.713121 0.462430 O\n0.286879 0.786919 0.037570 O\n0.442979 0.888789 0.665873 O\n0.729394 0.600092 0.944447 O\n0.580845 0.479775 0.337951 O\n0.600092 0.729394 0.444447 O\n0.520225 0.419155 0.162049 O\n0.207034 0.120625 0.470880 O\n0.888789 0.442979 0.165873 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sr",
"Sb",
"O"
],
"chemical_system": "O-Sb-Sr",
"density": 5.110114639765556,
"density_atomic": 0.0648421597970477,
"volume": 555.1943382619883,
"volume_molar": 9.287384594913187,
"formula_full": "Sr4 Sb8 O24",
"formula_reduced": "Sr(SbO3)2",
"formula_anonymous": "AB2C6",
"energy": -239.22502194,
"energy_per_atom": -6.645139498333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -222.73702194000003,
"band_gap": 1.3549000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034475,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.142000Z",
"spacegroup": 15
},
{
"id": "mp-1188768",
"created_at": "2022-09-04T14:40:40.906529Z",
"structure_string": "Sr4 Sc2 Co2 P2 O6\n1.0\n4.047372 0.000000 0.000000\n0.000000 4.047372 0.000000\n0.000000 0.000000 15.356997\nSr Sc Co P O\n4 2 2 2 6\ndirect\n0.250000 0.250000 0.824098 Sr\n0.750000 0.750000 0.175902 Sr\n0.250000 0.250000 0.588347 Sr\n0.750000 0.750000 0.411653 Sr\n0.750000 0.750000 0.698079 Sc\n0.250000 0.250000 0.301921 Sc\n0.250000 0.750000 0.000000 Co\n0.750000 0.250000 0.000000 Co\n0.750000 0.750000 0.937542 P\n0.250000 0.250000 0.062458 P\n0.750000 0.250000 0.720794 O\n0.250000 0.750000 0.720794 O\n0.250000 0.750000 0.279206 O\n0.750000 0.250000 0.279206 O\n0.750000 0.750000 0.568260 O\n0.250000 0.250000 0.431739 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Sr",
"Sc",
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P-Sc-Sr",
"density": 4.727506834853948,
"density_atomic": 0.06360151159044111,
"volume": 251.5663480300788,
"volume_molar": 9.46854973947677,
"formula_full": "Sr4 Sc2 Co2 P2 O6",
"formula_reduced": "Sr2ScCoPO3",
"formula_anonymous": "ABCD2E3",
"energy": -114.40635778,
"energy_per_atom": -7.15039736125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -107.00835778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.469526,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.078000Z",
"spacegroup": 129
},
{
"id": "mp-1105960",
"created_at": "2022-09-04T14:47:24.606162Z",
"structure_string": "Sr4 Sc2 Fe2 As2 O6\n1.0\n4.127171 0.000000 0.000000\n0.000000 4.127171 0.000000\n0.000000 0.000000 16.335296\nSr Sc Fe As O\n4 2 2 2 6\ndirect\n0.250000 0.250000 0.801903 Sr\n0.750000 0.750000 0.198097 Sr\n0.250000 0.250000 0.583454 Sr\n0.750000 0.750000 0.416546 Sr\n0.750000 0.750000 0.687569 Sc\n0.250000 0.250000 0.312431 Sc\n0.250000 0.750000 0.000000 Fe\n0.750000 0.250000 0.000000 Fe\n0.750000 0.750000 0.901439 As\n0.250000 0.250000 0.098561 As\n0.250000 0.750000 0.706829 O\n0.750000 0.250000 0.706829 O\n0.750000 0.250000 0.293171 O\n0.250000 0.750000 0.293171 O\n0.750000 0.750000 0.565013 O\n0.250000 0.250000 0.434987 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Sr",
"Sc",
"Fe",
"As",
"O"
],
"chemical_system": "As-Fe-O-Sc-Sr",
"density": 4.761867297835467,
"density_atomic": 0.05750267491585198,
"volume": 278.2479253950188,
"volume_molar": 10.472801080667386,
"formula_full": "Sr4 Sc2 Fe2 As2 O6",
"formula_reduced": "Sr2ScFeAsO3",
"formula_anonymous": "ABCD2E3",
"energy": -114.93278853,
"energy_per_atom": -7.183299283125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.29878853,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.8178504,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:05.531000Z",
"spacegroup": 129
},
{
"id": "mp-1189114",
"created_at": "2022-09-04T14:40:37.274103Z",
"structure_string": "Sr4 Sc2 Fe2 P2 O6\n1.0\n4.081757 0.000000 0.000000\n0.000000 4.081757 0.000000\n0.000000 0.000000 16.068628\nSr Sc Fe P O\n4 2 2 2 6\ndirect\n0.500000 0.000000 0.808097 Sr\n0.000000 0.500000 0.191903 Sr\n0.500000 0.000000 0.585116 Sr\n0.000000 0.500000 0.414884 Sr\n0.000000 0.500000 0.691790 Sc\n0.500000 0.000000 0.308210 Sc\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.907602 P\n0.500000 0.000000 0.092398 P\n0.500000 0.500000 0.712630 O\n0.000000 0.000000 0.712630 O\n0.000000 0.000000 0.287370 O\n0.500000 0.500000 0.287370 O\n0.000000 0.500000 0.566624 O\n0.500000 0.000000 0.433376 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Sr",
"Sc",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P-Sc-Sr",
"density": 4.4040283543666705,
"density_atomic": 0.0597649958354864,
"volume": 267.7152365917133,
"volume_molar": 10.0763677397,
"formula_full": "Sr4 Sc2 Fe2 P2 O6",
"formula_reduced": "Sr2ScFePO3",
"formula_anonymous": "ABCD2E3",
"energy": -116.52565238,
"energy_per_atom": -7.28285327375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -107.89165238,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9089551,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.945000Z",
"spacegroup": 129
},
{
"id": "mp-1105158",
"created_at": "2022-09-04T14:42:58.139643Z",
"structure_string": "Sr4 Sc2 Ga2 O10\n1.0\n-5.758791 0.000000 0.000000\n0.000000 0.000000 -5.980756\n2.879395 -7.636466 2.990378\nSr Sc Ga O\n4 2 2 10\ndirect\n0.114974 0.632177 0.222802 Sr\n0.892172 0.367823 0.777198 Sr\n0.392172 0.909375 0.777198 Sr\n0.614974 0.090625 0.222802 Sr\n0.498933 0.500000 0.000000 Sc\n0.998933 0.000000 0.000000 Sc\n0.281668 0.321513 0.500000 Ga\n0.781668 0.678487 0.500000 Ga\n0.238899 0.741202 0.976180 O\n0.262719 0.258798 0.023820 O\n0.762719 0.265022 0.023820 O\n0.738899 0.734978 0.976180 O\n0.624569 0.711312 0.287834 O\n0.336736 0.288688 0.712166 O\n0.836736 0.923479 0.712166 O\n0.124569 0.076521 0.287834 O\n0.104829 0.592856 0.500000 O\n0.604829 0.407144 0.500000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"Sc",
"Ga",
"O"
],
"chemical_system": "Ga-O-Sc-Sr",
"density": 4.670918415231355,
"density_atomic": 0.068437270593129,
"volume": 263.0145802718084,
"volume_molar": 8.799504579606385,
"formula_full": "Sr4 Sc2 Ga2 O10",
"formula_reduced": "Sr2ScGaO5",
"formula_anonymous": "ABC2D5",
"energy": -132.54679969,
"energy_per_atom": -7.363711093888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.67679969,
"band_gap": 2.7659,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000814,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:59.210000Z",
"spacegroup": 46
},
{
"id": "mp-1208760",
"created_at": "2022-09-04T14:41:59.805056Z",
"structure_string": "Sr4 Sc2 Nb2 O12\n1.0\n5.764865 0.000000 0.000000\n0.000000 5.766684 0.000000\n0.000000 5.777500 8.138649\nSr Sc Nb O\n4 2 2 12\ndirect\n0.484005 0.753081 0.250240 Sr\n0.515995 0.246919 0.749760 Sr\n0.984005 0.246919 0.249760 Sr\n0.015995 0.753081 0.750240 Sr\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.719716 0.200503 0.030892 O\n0.280284 0.799497 0.969108 O\n0.219716 0.799497 0.469108 O\n0.780284 0.200503 0.530892 O\n0.008914 0.684277 0.255982 O\n0.991086 0.315723 0.744018 O\n0.508914 0.315723 0.244018 O\n0.491086 0.684277 0.755982 O\n0.230488 0.249479 0.031495 O\n0.769512 0.750521 0.968505 O\n0.730488 0.750521 0.468505 O\n0.269512 0.249479 0.531495 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Sc",
"Nb",
"O"
],
"chemical_system": "Nb-O-Sc-Sr",
"density": 5.02157056429574,
"density_atomic": 0.07392007204196115,
"volume": 270.5625068742748,
"volume_molar": 8.146827503876752,
"formula_full": "Sr4 Sc2 Nb2 O12",
"formula_reduced": "Sr2ScNbO6",
"formula_anonymous": "ABC2D6",
"energy": -169.01506275,
"energy_per_atom": -8.4507531375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.77106275,
"band_gap": 2.942,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017396,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.906000Z",
"spacegroup": 14
},
{
"id": "mp-1189201",
"created_at": "2022-09-04T14:45:10.318371Z",
"structure_string": "Sr4 Sc2 Ni2 P2 O6\n1.0\n4.081001 0.000000 0.000000\n0.000000 4.081001 0.000000\n0.000000 0.000000 15.210651\nSr Sc Ni P O\n4 2 2 2 6\ndirect\n0.250000 0.250000 0.824550 Sr\n0.750000 0.750000 0.175450 Sr\n0.250000 0.250000 0.589078 Sr\n0.750000 0.750000 0.410922 Sr\n0.750000 0.750000 0.698782 Sc\n0.250000 0.250000 0.301218 Sc\n0.250000 0.750000 0.000000 Ni\n0.750000 0.250000 0.000000 Ni\n0.750000 0.750000 0.938043 P\n0.250000 0.250000 0.061957 P\n0.750000 0.250000 0.720730 O\n0.250000 0.750000 0.720730 O\n0.250000 0.750000 0.279270 O\n0.750000 0.250000 0.279270 O\n0.750000 0.750000 0.568446 O\n0.250000 0.250000 0.431554 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Sr",
"Sc",
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P-Sc-Sr",
"density": 4.691509419702389,
"density_atomic": 0.06315951384463536,
"volume": 253.32683907855963,
"volume_molar": 9.534811770105968,
"formula_full": "Sr4 Sc2 Ni2 P2 O6",
"formula_reduced": "Sr2ScNiPO3",
"formula_anonymous": "ABCD2E3",
"energy": -110.1070364,
"energy_per_atom": -6.881689775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.9030364,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056447,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.084000Z",
"spacegroup": 129
},
{
"id": "mp-1106218",
"created_at": "2022-09-04T14:39:35.775357Z",
"structure_string": "Sr4 Sc2 Sb2 O12\n1.0\n5.771993 0.000000 0.000000\n0.000000 5.751533 0.000000\n-5.761958 0.000000 8.128504\nSr Sc Sb O\n4 2 2 12\ndirect\n0.753753 0.489364 0.251041 Sr\n0.753753 0.010636 0.751041 Sr\n0.246247 0.510636 0.748959 Sr\n0.246247 0.989364 0.248959 Sr\n0.500000 0.500000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.231986 0.227236 0.471571 O\n0.231986 0.272764 0.971571 O\n0.768014 0.772764 0.528429 O\n0.768014 0.727236 0.028429 O\n0.800629 0.237380 0.026715 O\n0.800629 0.262620 0.526715 O\n0.199371 0.762620 0.973285 O\n0.199371 0.737380 0.473285 O\n0.703096 0.005019 0.256096 O\n0.703096 0.494981 0.756096 O\n0.296904 0.994981 0.743904 O\n0.296904 0.505019 0.243904 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Sc",
"Sb",
"O"
],
"chemical_system": "O-Sb-Sc-Sr",
"density": 5.389964205263415,
"density_atomic": 0.07411565656188383,
"volume": 269.84851686904693,
"volume_molar": 8.125328762313176,
"formula_full": "Sr4 Sc2 Sb2 O12",
"formula_reduced": "Sr2ScSbO6",
"formula_anonymous": "ABC2D6",
"energy": -149.34363817,
"energy_per_atom": -7.4671819085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.09963817,
"band_gap": 3.5074,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00333,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.190000Z",
"spacegroup": 14
},
{
"id": "mp-1208776",
"created_at": "2022-09-04T14:43:05.055966Z",
"structure_string": "Sr4 Sc2 Ta2 O12\n1.0\n5.761932 0.000000 0.000000\n0.000000 5.734836 0.000000\n0.000000 5.737446 8.126411\nSr Sc Ta O\n4 2 2 12\ndirect\n0.475669 0.244257 0.751313 Sr\n0.524331 0.755743 0.248687 Sr\n0.975669 0.755743 0.748687 Sr\n0.024331 0.244257 0.251313 Sr\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.011598 0.315615 0.743162 O\n0.988402 0.684385 0.256838 O\n0.511598 0.684385 0.756838 O\n0.488402 0.315615 0.243162 O\n0.713020 0.803438 0.969900 O\n0.286980 0.196562 0.030100 O\n0.213020 0.196562 0.530100 O\n0.786980 0.803438 0.469900 O\n0.226829 0.744420 0.968505 O\n0.773171 0.255580 0.031495 O\n0.726829 0.255580 0.531495 O\n0.273171 0.744420 0.468505 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Sc",
"Ta",
"O"
],
"chemical_system": "O-Sc-Sr-Ta",
"density": 6.148512411564186,
"density_atomic": 0.0744804138061772,
"volume": 268.5269720982841,
"volume_molar": 8.085536119162297,
"formula_full": "Sr4 Sc2 Ta2 O12",
"formula_reduced": "Sr2ScTaO6",
"formula_anonymous": "ABC2D6",
"energy": -174.96404117,
"energy_per_atom": -8.7482020585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -166.72004117,
"band_gap": 3.4213,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002036,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.504000Z",
"spacegroup": 14
}
]
}