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=-energy_above_hull&page=12139",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=12137",
"results": [
{
"id": "mp-18307",
"created_at": "2022-09-04T14:44:04.891896Z",
"structure_string": "Fe8 P4 O20\n1.0\n6.531321 0.000000 0.000000\n0.000000 7.475241 0.000000\n0.000000 0.000000 7.588920\nFe P O\n8 4 20\ndirect\n0.750000 0.849325 0.715040 Fe\n0.250000 0.150675 0.284960 Fe\n0.750000 0.349325 0.784960 Fe\n0.250000 0.650675 0.215040 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.250000 0.877508 0.628027 P\n0.750000 0.122492 0.371973 P\n0.250000 0.377508 0.871973 P\n0.750000 0.622492 0.128027 P\n0.559495 0.631596 0.250359 O\n0.059495 0.368404 0.749641 O\n0.940505 0.131596 0.249641 O\n0.440505 0.868404 0.750359 O\n0.440505 0.368404 0.749641 O\n0.940505 0.631596 0.250359 O\n0.059495 0.868404 0.750359 O\n0.559495 0.131596 0.249641 O\n0.250000 0.549835 0.980373 O\n0.750000 0.450165 0.019627 O\n0.250000 0.049835 0.519627 O\n0.750000 0.950165 0.480373 O\n0.250000 0.901313 0.142478 O\n0.750000 0.098687 0.857522 O\n0.250000 0.401313 0.357522 O\n0.750000 0.598687 0.642478 O\n0.250000 0.209669 0.995393 O\n0.750000 0.790331 0.004607 O\n0.250000 0.709669 0.504607 O\n0.750000 0.290331 0.495393 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P",
"density": 3.9915959882068828,
"density_atomic": 0.08636619291311023,
"volume": 370.51534773790473,
"volume_molar": 6.972798680681281,
"formula_full": "Fe8 P4 O20",
"formula_reduced": "Fe2PO5",
"formula_anonymous": "AB2C5",
"energy": -257.6539481,
"energy_per_atom": -8.051685878125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -225.8659481,
"band_gap": 0.4523000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 35.9999941,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:31.488000Z",
"spacegroup": 62
},
{
"id": "mp-937591",
"created_at": "2022-09-04T14:44:04.671670Z",
"structure_string": "Li14 Mn2 As8\n1.0\n5.979637 5.983078 0.000000\n-5.979637 5.983078 0.000000\n0.000000 0.030873 6.034016\nLi Mn As\n14 2 8\ndirect\n0.253656 0.248681 0.187671 Li\n0.733339 0.752561 0.821842 Li\n0.010586 0.989414 0.250000 Li\n0.487002 0.512998 0.250000 Li\n0.250181 0.749819 0.250000 Li\n0.013125 0.509544 0.249188 Li\n0.490456 0.986875 0.250812 Li\n0.248681 0.253656 0.687671 Li\n0.751319 0.746344 0.312329 Li\n0.986875 0.490456 0.750812 Li\n0.749819 0.250181 0.750000 Li\n0.509544 0.013125 0.749188 Li\n0.989414 0.010586 0.750000 Li\n0.512998 0.487002 0.750000 Li\n0.747959 0.252041 0.250000 Mn\n0.252041 0.747959 0.750000 Mn\n0.749085 0.016043 0.037116 As\n0.250915 0.983957 0.962884 As\n0.016043 0.749085 0.537116 As\n0.983957 0.250915 0.462884 As\n0.512940 0.250327 0.463730 As\n0.487060 0.749673 0.536270 As\n0.749673 0.487060 0.036270 As\n0.250327 0.512940 0.963730 As\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Mn",
"As"
],
"chemical_system": "As-Li-Mn",
"density": 3.101530138953686,
"density_atomic": 0.05558726461630906,
"volume": 431.75357099616133,
"volume_molar": 10.83366990904807,
"formula_full": "Li14 Mn2 As8",
"formula_reduced": "Li7MnAs4",
"formula_anonymous": "AB4C7",
"energy": -94.47557031,
"energy_per_atom": -3.93648209625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.47557031,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0476634,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.179000Z",
"spacegroup": 6
},
{
"id": "mp-1096461",
"created_at": "2022-09-04T14:44:04.674589Z",
"structure_string": "Hf1 Be1 Au2\n1.0\n-4.981903 6.029493 8.315145\n4.981903 -6.029493 8.315145\n4.981903 6.029493 -8.315145\nHf Be Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Be\n0.000000 0.226255 0.226255 Au\n0.000000 0.773745 0.773745 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Au"
],
"chemical_system": "Au-Be-Hf",
"density": 0.9663726420144924,
"density_atomic": 0.004003631618963569,
"volume": 999.0929188024272,
"volume_molar": 150.41695473368668,
"formula_full": "Hf1 Be1 Au2",
"formula_reduced": "HfBeAu2",
"formula_anonymous": "ABC2",
"energy": -12.20287818,
"energy_per_atom": -3.050719545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.20287818,
"band_gap": 0.1439000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.455000Z",
"spacegroup": 71
},
{
"id": "mp-1522007",
"created_at": "2022-09-04T14:44:04.703777Z",
"structure_string": "Sr1 Ca1 Eu1 Bi1 O6\n1.0\n0.000000 -4.323320 -4.323320\n4.323320 -0.000000 -4.323320\n4.323320 -4.323320 0.000000\nSr Ca Eu Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 -0.000000 Bi\n0.757153 0.242847 0.242847 O\n0.242847 0.757153 0.757153 O\n0.757153 0.242847 0.757153 O\n0.242847 0.757153 0.242847 O\n0.757153 0.757153 0.242847 O\n0.242847 0.242847 0.757153 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Eu",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Eu-O-Sr",
"density": 6.00695792673532,
"density_atomic": 0.06187537704767301,
"volume": 161.61517678179672,
"volume_molar": 9.732693435322636,
"formula_full": "Sr1 Ca1 Eu1 Bi1 O6",
"formula_reduced": "SrCaEuBiO6",
"formula_anonymous": "ABCDE6",
"energy": -71.85097083,
"energy_per_atom": -7.185097083,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.72897083,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.459000Z",
"spacegroup": 216
},
{
"id": "mp-1026461",
"created_at": "2022-09-04T14:44:04.712186Z",
"structure_string": "Mg14 Bi1 Mo1\n1.0\n6.339444 -0.003456 0.000000\n-3.172715 5.495303 0.000000\n0.000000 0.000000 10.254373\nMg Bi Mo\n14 1 1\ndirect\n0.166222 0.333111 0.625000 Mg\n0.167565 0.833782 0.625000 Mg\n0.667624 0.333148 0.125000 Mg\n0.666687 0.332229 0.625000 Mg\n0.667624 0.834475 0.125000 Mg\n0.666687 0.834457 0.625000 Mg\n0.331617 0.173511 0.372863 Mg\n0.331617 0.173511 0.877137 Mg\n0.331617 0.658107 0.372863 Mg\n0.331617 0.658107 0.877137 Mg\n0.841152 0.170577 0.370087 Mg\n0.841152 0.170577 0.879913 Mg\n0.829970 0.664986 0.380019 Mg\n0.829970 0.664986 0.869981 Mg\n0.160702 0.830350 0.125000 Bi\n0.168177 0.334088 0.125000 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Bi",
"Mo"
],
"chemical_system": "Bi-Mg-Mo",
"density": 3.0000036605725633,
"density_atomic": 0.04480276043965097,
"volume": 357.1208524428287,
"volume_molar": 13.441450260886903,
"formula_full": "Mg14 Bi1 Mo1",
"formula_reduced": "Mg14BiMo",
"formula_anonymous": "ABC14",
"energy": -35.62421927,
"energy_per_atom": -2.226513704375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.62421927,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4140031,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.302000Z",
"spacegroup": 38
},
{
"id": "mp-975932",
"created_at": "2022-09-04T14:44:04.721229Z",
"structure_string": "Pr1 Lu1 In2\n1.0\n0.000000 3.799524 3.799524\n3.799524 0.000000 3.799524\n3.799524 3.799524 0.000000\nPr Lu In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Lu",
"In"
],
"chemical_system": "In-Lu-Pr",
"density": 8.257237176178974,
"density_atomic": 0.03646216225537597,
"volume": 109.7027645257171,
"volume_molar": 16.516137243375077,
"formula_full": "Pr1 Lu1 In2",
"formula_reduced": "PrLuIn2",
"formula_anonymous": "ABC2",
"energy": -16.52010754,
"energy_per_atom": -4.130026885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.52010754,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0173078,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.952000Z",
"spacegroup": 225
},
{
"id": "mp-762164",
"created_at": "2022-09-04T14:44:04.750747Z",
"structure_string": "Li4 Nb2 Co3 Ni3 O16\n1.0\n5.865033 0.050870 -0.082922\n-2.888727 5.017691 -0.014476\n-0.134663 -0.105432 9.517000\nLi Nb Co Ni O\n4 2 3 3 16\ndirect\n0.321265 0.661055 0.899391 Li\n0.003755 0.002259 0.993370 Li\n0.008268 0.002767 0.493451 Li\n0.664140 0.334708 0.396028 Li\n0.337651 0.663394 0.496998 Nb\n0.653790 0.325289 0.995086 Nb\n0.174268 0.833004 0.216576 Co\n0.170211 0.339701 0.214782 Co\n0.342328 0.170824 0.716641 Co\n0.662393 0.830035 0.213524 Ni\n0.833464 0.662882 0.715581 Ni\n0.832841 0.169975 0.715544 Ni\n0.181271 0.844731 0.593638 O\n0.037810 0.521072 0.331231 O\n0.307219 0.657938 0.113032 O\n0.022065 0.006592 0.304602 O\n0.020353 0.011269 0.804234 O\n0.178842 0.333823 0.594827 O\n0.465870 0.964845 0.336375 O\n0.470601 0.509622 0.338380 O\n0.327782 0.163253 0.105495 O\n0.682107 0.843010 0.588688 O\n0.500955 0.470665 0.843464 O\n0.500490 0.030093 0.842653 O\n0.649624 0.323451 0.616035 O\n0.847821 0.672906 0.092950 O\n0.958283 0.477944 0.842086 O\n0.844531 0.173191 0.093179 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Nb-Ni-O",
"density": 4.853538151872272,
"density_atomic": 0.09950834195776179,
"volume": 281.383444333593,
"volume_molar": 6.051895390394719,
"formula_full": "Li4 Nb2 Co3 Ni3 O16",
"formula_reduced": "Li4Nb2Co3Ni3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -197.77679658,
"energy_per_atom": -7.063457020714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.24779658,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9999701,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.327000Z",
"spacegroup": 1
},
{
"id": "mp-755752",
"created_at": "2022-09-04T14:44:04.818211Z",
"structure_string": "Rb8 Be8 O12\n1.0\n5.403529 0.000000 0.000000\n0.000000 7.785487 0.000000\n0.000000 0.000000 10.964679\nRb Be O\n8 8 12\ndirect\n0.250000 0.869565 0.080265 Rb\n0.750000 0.507032 0.116377 Rb\n0.250000 0.007032 0.383623 Rb\n0.750000 0.369565 0.419735 Rb\n0.250000 0.630435 0.580265 Rb\n0.750000 0.992968 0.616377 Rb\n0.250000 0.492968 0.883623 Rb\n0.750000 0.130435 0.919735 Rb\n0.250000 0.275444 0.167589 Be\n0.750000 0.105318 0.213213 Be\n0.250000 0.605318 0.286787 Be\n0.750000 0.775444 0.332411 Be\n0.250000 0.224556 0.667589 Be\n0.750000 0.394682 0.713213 Be\n0.250000 0.894682 0.786787 Be\n0.750000 0.724556 0.832411 Be\n0.250000 0.475700 0.178641 O\n0.999491 0.174914 0.160546 O\n0.500509 0.174914 0.160546 O\n0.000509 0.674914 0.339454 O\n0.499491 0.674914 0.339454 O\n0.750000 0.975700 0.321359 O\n0.250000 0.024300 0.678641 O\n0.999491 0.325086 0.660546 O\n0.500509 0.325086 0.660546 O\n0.499491 0.825086 0.839454 O\n0.000509 0.825086 0.839454 O\n0.750000 0.524300 0.821359 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Be",
"O"
],
"chemical_system": "Be-O-Rb",
"density": 3.4120986005932648,
"density_atomic": 0.060701418360123945,
"volume": 461.2742297697906,
"volume_molar": 9.920922645122362,
"formula_full": "Rb8 Be8 O12",
"formula_reduced": "Rb2Be2O3",
"formula_anonymous": "A2B2C3",
"energy": -163.7113627,
"energy_per_atom": -5.846834382142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.4673627,
"band_gap": 2.455,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002566,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.019000Z",
"spacegroup": 62
},
{
"id": "mp-13963",
"created_at": "2022-09-04T14:44:04.827002Z",
"structure_string": "Hf2 Si2 Te2\n1.0\n3.662660 0.000000 0.000000\n0.000000 3.662660 0.000000\n0.000000 0.000000 10.338230\nHf Si Te\n2 2 2\ndirect\n0.000000 0.500000 0.796497 Hf\n0.500000 0.000000 0.203503 Hf\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.661253 Te\n0.000000 0.500000 0.338747 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Si",
"Te"
],
"chemical_system": "Hf-Si-Te",
"density": 8.002290233291768,
"density_atomic": 0.043262523617599156,
"volume": 138.68816468115617,
"volume_molar": 13.919994157599715,
"formula_full": "Hf2 Si2 Te2",
"formula_reduced": "HfSiTe",
"formula_anonymous": "ABC",
"energy": -42.07203775,
"energy_per_atom": -7.012006291666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.37003775,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.87e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:35.851000Z",
"spacegroup": 129
},
{
"id": "mp-1113026",
"created_at": "2022-09-04T14:44:04.852637Z",
"structure_string": "Cs2 Li1 Au1 Cl6\n1.0\n0.000000 5.195966 5.195966\n5.195966 0.000000 5.195966\n5.195966 5.195966 0.000000\nCs Li Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Au\n0.755088 0.244912 0.244912 Cl\n0.244912 0.244912 0.755088 Cl\n0.244912 0.755088 0.755088 Cl\n0.244912 0.755088 0.244912 Cl\n0.755088 0.244912 0.755088 Cl\n0.755088 0.755088 0.244912 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Li",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Cs-Li",
"density": 4.039079763489296,
"density_atomic": 0.03564274163894874,
"volume": 280.5620314311754,
"volume_molar": 16.895840451900824,
"formula_full": "Cs2 Li1 Au1 Cl6",
"formula_reduced": "Cs2LiAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -33.76974232,
"energy_per_atom": -3.376974232,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.08574232,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4990909,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.425000Z",
"spacegroup": 225
},
{
"id": "mp-23407",
"created_at": "2022-09-04T14:44:04.958048Z",
"structure_string": "Hg2 I4 O12\n1.0\n5.624135 0.000000 0.000000\n0.000000 5.970663 0.000000\n0.000000 1.968586 8.950283\nHg I O\n2 4 12\ndirect\n0.745137 0.932677 0.173220 Hg\n0.245137 0.067323 0.826780 Hg\n0.269402 0.578354 0.149661 I\n0.769402 0.421646 0.850339 I\n0.237933 0.732370 0.572228 I\n0.737933 0.267630 0.427772 I\n0.933420 0.511849 0.349492 O\n0.433420 0.488151 0.650508 O\n0.498762 0.663984 0.006149 O\n0.998762 0.336016 0.993851 O\n0.420468 0.708389 0.292465 O\n0.920468 0.291611 0.707535 O\n0.934863 0.028892 0.412079 O\n0.434863 0.971108 0.587921 O\n0.575752 0.169665 0.933544 O\n0.075752 0.830335 0.066456 O\n0.563343 0.239655 0.259724 O\n0.063343 0.760345 0.740276 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Hg",
"I",
"O"
],
"chemical_system": "Hg-I-O",
"density": 6.0818930367162585,
"density_atomic": 0.05989043143120306,
"volume": 300.5488451135444,
"volume_molar": 10.055263614051126,
"formula_full": "Hg2 I4 O12",
"formula_reduced": "Hg(IO3)2",
"formula_anonymous": "AB2C6",
"energy": -80.57129751,
"energy_per_atom": -4.476183195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.32729751,
"band_gap": 2.4467,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0016571,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.066000Z",
"spacegroup": 4
},
{
"id": "mp-17447",
"created_at": "2022-09-04T14:44:04.690703Z",
"structure_string": "Sr10 P6 S1 O24\n1.0\n4.965679 -8.600808 0.000000\n4.965679 8.600808 0.000000\n0.000000 0.000000 7.286352\nSr P S O\n10 6 1 24\ndirect\n0.988616 0.742780 0.740764 Sr\n0.257220 0.245835 0.740764 Sr\n0.754165 0.011384 0.740764 Sr\n0.742780 0.754165 0.259236 Sr\n0.011384 0.257220 0.259236 Sr\n0.245835 0.988616 0.259236 Sr\n0.666667 0.333333 0.481177 Sr\n0.333333 0.666667 0.518823 Sr\n0.666667 0.333333 0.979063 Sr\n0.333333 0.666667 0.020937 Sr\n0.369038 0.971083 0.753016 P\n0.602045 0.630962 0.753016 P\n0.971083 0.602045 0.246984 P\n0.028917 0.397955 0.753016 P\n0.397955 0.369038 0.246984 P\n0.630962 0.028917 0.246984 P\n0.000000 0.000000 0.500000 S\n0.479212 0.150279 0.739182 O\n0.099194 0.381102 0.569468 O\n0.281909 0.900806 0.569468 O\n0.618898 0.718091 0.569468 O\n0.900806 0.618898 0.430532 O\n0.718091 0.099194 0.430532 O\n0.381102 0.281909 0.430532 O\n0.064880 0.309876 0.904690 O\n0.244996 0.935120 0.904690 O\n0.690124 0.755004 0.904690 O\n0.309876 0.244996 0.095310 O\n0.112448 0.576135 0.794919 O\n0.463687 0.887552 0.794919 O\n0.423865 0.536313 0.794919 O\n0.887552 0.423865 0.205081 O\n0.536313 0.112448 0.205081 O\n0.328933 0.479212 0.260818 O\n0.520788 0.849721 0.260818 O\n0.150279 0.671067 0.260818 O\n0.671067 0.520788 0.739182 O\n0.755004 0.064880 0.095310 O\n0.849721 0.328933 0.739182 O\n0.576135 0.463687 0.205081 O\n0.935120 0.690124 0.095310 O\n",
"nsites": 41,
"nelements": 4,
"elements": [
"Sr",
"P",
"S",
"O"
],
"chemical_system": "O-P-S-Sr",
"density": 3.9436001104997827,
"density_atomic": 0.06587578729213714,
"volume": 622.3834535468802,
"volume_molar": 9.141660399888375,
"formula_full": "Sr10 P6 S1 O24",
"formula_reduced": "Sr10P6SO24",
"formula_anonymous": "AB6C10D24",
"energy": -307.59021578,
"energy_per_atom": -7.502200384878049,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -290.59921578,
"band_gap": 3.544,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0025871,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.589000Z",
"spacegroup": 147
}
]
}