HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=84",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=82",
"results": [
{
"id": "jvasp-81346",
"created_at": "2022-09-04T14:37:18.921131Z",
"updated_at": "2022-09-04T14:37:18.921155Z",
"structure_string": "Zn2 Cu1 Rh1\n1.0\n-8.281555 0.000000 -4.781359\n-8.444729 -0.088035 5.063984\n-5.533928 8.144954 0.022329\nZn Cu Rh\n2 1 1\ndirect\n0.753302 0.000000 0.000000 Zn\n0.246698 0.000000 0.000000 Zn\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Cu",
"Rh"
],
"chemical_system": "Cu-Rh-Zn",
"density": 0.7336946464755376,
"density_atomic": 0.005945328985935031,
"volume": 672.7970831324675,
"volume_molar": 101.29196843852853,
"formula_full": "Zn2 Cu1 Rh1",
"formula_reduced": "Zn2CuRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5114424999999999,
"spacegroup": 71
},
{
"id": "jvasp-46041",
"created_at": "2022-09-04T14:38:12.155923Z",
"updated_at": "2022-09-04T14:38:12.155950Z",
"structure_string": "Sr8 Br12 O2\n1.0\n9.631297 -0.000000 -0.000000\n-0.000000 9.631297 -0.000000\n0.000000 0.000000 7.246558\nSr Br O\n8 12 2\ndirect\n0.500000 0.732282 0.845766 Sr\n0.232282 0.000000 0.345766 Sr\n0.767719 0.000000 0.345766 Sr\n0.500000 0.267719 0.845766 Sr\n0.000000 0.232282 0.654234 Sr\n0.732282 0.500000 0.154234 Sr\n0.267719 0.500000 0.154234 Sr\n0.000000 0.767719 0.654234 Sr\n0.701115 0.701115 0.500000 Br\n0.298885 0.701115 0.500000 Br\n0.000000 0.500000 0.878768 Br\n0.000000 0.500000 0.378768 Br\n0.701115 0.298885 0.500000 Br\n0.298885 0.298885 0.500000 Br\n0.500000 0.000000 0.121232 Br\n0.798885 0.201115 0.000000 Br\n0.500000 0.000000 0.621233 Br\n0.798885 0.798885 0.000000 Br\n0.201115 0.798885 0.000000 Br\n0.201115 0.201115 0.000000 Br\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"Br",
"O"
],
"chemical_system": "Br-O-Sr",
"density": 4.179251820730112,
"density_atomic": 0.03272814250313052,
"volume": 672.2043573935078,
"volume_molar": 18.40049663504114,
"formula_full": "Sr8 Br12 O2",
"formula_reduced": "Sr4Br6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0094363636363636,
"spacegroup": 137
},
{
"id": "jvasp-23375",
"created_at": "2022-09-04T14:37:35.092845Z",
"updated_at": "2022-09-04T14:37:35.092864Z",
"structure_string": "Te16 Au8\n1.0\n4.457702 0.000000 0.000000\n0.000000 8.923832 0.000000\n0.000000 0.000000 16.891335\nTe Au\n16 8\ndirect\n0.454590 0.027594 0.380986 Te\n0.916035 0.695472 0.506961 Te\n0.916035 0.304528 0.493039 Te\n0.916035 0.304528 0.006961 Te\n0.916035 0.695472 0.993039 Te\n0.094425 0.370150 0.250000 Te\n0.011908 0.023043 0.750000 Te\n0.011908 0.976957 0.250000 Te\n0.094425 0.629850 0.750000 Te\n0.513426 0.359942 0.870624 Te\n0.513426 0.359942 0.629375 Te\n0.513426 0.640058 0.370624 Te\n0.454590 0.027594 0.119014 Te\n0.454590 0.972406 0.880986 Te\n0.454590 0.972406 0.619014 Te\n0.513426 0.640058 0.129375 Te\n0.960807 0.000000 0.500000 Au\n0.492740 0.332876 0.373942 Au\n0.492740 0.667124 0.626058 Au\n0.492740 0.667124 0.873941 Au\n0.492740 0.332876 0.126058 Au\n0.009273 0.328223 0.750000 Au\n0.009273 0.671777 0.250000 Au\n0.960807 0.000000 0.000000 Au\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Te",
"Au"
],
"chemical_system": "Au-Te",
"density": 8.93945702398118,
"density_atomic": 0.03571781212444488,
"volume": 671.9336536174528,
"volume_molar": 16.86032934777243,
"formula_full": "Te16 Au8",
"formula_reduced": "Te2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6430677011111112,
"spacegroup": 28
},
{
"id": "jvasp-10683",
"created_at": "2022-09-04T14:37:11.623275Z",
"updated_at": "2022-09-04T14:37:11.623311Z",
"structure_string": "Rb8 Sb8\n1.0\n0.000000 7.391770 0.021817\n7.200816 0.000000 0.000000\n0.000000 -5.674561 -12.640012\nRb Sb\n8 8\ndirect\n0.740423 0.829861 0.530825 Rb\n0.259577 0.329861 0.969175 Rb\n0.259577 0.170140 0.469175 Rb\n0.740423 0.670140 0.030825 Rb\n0.283044 0.596597 0.667077 Rb\n0.716955 0.096597 0.832923 Rb\n0.716955 0.403404 0.332923 Rb\n0.283044 0.903404 0.167077 Rb\n0.175457 0.829108 0.874091 Sb\n0.824543 0.329108 0.625908 Sb\n0.824543 0.170892 0.125909 Sb\n0.175457 0.670892 0.374091 Sb\n0.174262 0.096021 0.714731 Sb\n0.825738 0.596021 0.785268 Sb\n0.825738 0.903980 0.285269 Sb\n0.174262 0.403979 0.214731 Sb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Rb",
"Sb"
],
"chemical_system": "Rb-Sb",
"density": 4.097182397218412,
"density_atomic": 0.023813223055951228,
"volume": 671.8956086879384,
"volume_molar": 25.289062072154028,
"formula_full": "Rb8 Sb8",
"formula_reduced": "RbSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.2467987000000001,
"spacegroup": 14
},
{
"id": "jvasp-97857",
"created_at": "2022-09-04T14:38:11.592593Z",
"updated_at": "2022-09-04T14:38:11.592622Z",
"structure_string": "La12 S12 N4\n1.0\n4.167463 0.000000 0.000000\n0.000000 12.206143 0.000000\n0.000000 0.000000 13.202759\nLa S N\n12 12 4\ndirect\n0.749999 0.904435 0.375497 La\n0.250000 0.534106 0.348037 La\n0.250000 0.095565 0.624503 La\n0.749999 0.404435 0.124503 La\n0.749999 0.269797 0.370262 La\n0.250000 0.230203 0.870262 La\n0.250000 0.034106 0.151963 La\n0.749999 0.465894 0.651964 La\n0.250000 0.595565 0.875497 La\n0.250000 0.730203 0.629739 La\n0.749999 0.769796 0.129739 La\n0.749999 0.965894 0.848037 La\n0.749999 0.145643 0.002980 S\n0.749999 0.734112 0.794970 S\n0.250000 0.572362 0.107235 S\n0.749999 0.927638 0.607235 S\n0.250000 0.854357 0.997021 S\n0.250000 0.265887 0.205030 S\n0.250000 0.072362 0.392765 S\n0.749999 0.645643 0.497021 S\n0.749999 0.234112 0.705030 S\n0.250000 0.354357 0.502980 S\n0.250000 0.765887 0.294970 S\n0.749999 0.427638 0.892765 S\n0.749999 0.945458 0.201729 N\n0.749999 0.445458 0.298271 N\n0.250000 0.054542 0.798271 N\n0.250000 0.554542 0.701729 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"La",
"S",
"N"
],
"chemical_system": "La-N-S",
"density": 5.211194849956861,
"density_atomic": 0.041691078424977095,
"volume": 671.606517696247,
"volume_molar": 14.444674946072253,
"formula_full": "La12 S12 N4",
"formula_reduced": "La3S3N",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.3654240357142853,
"spacegroup": 62
},
{
"id": "jvasp-12887",
"created_at": "2022-09-04T14:38:34.050350Z",
"updated_at": "2022-09-04T14:38:34.050371Z",
"structure_string": "K4 Pt2 I12\n1.0\n7.516536 0.000000 0.000000\n-0.000000 7.516536 -0.000000\n0.000000 -0.000000 11.884024\nK Pt I\n4 2 12\ndirect\n0.500000 0.000000 0.750000 K\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.250000 K\n0.000000 0.500000 0.250000 K\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.728355 I\n0.000000 0.000000 0.771644 I\n0.500000 0.500000 0.271644 I\n0.000000 0.000000 0.228355 I\n0.195717 0.303498 0.500000 I\n0.303498 0.804283 0.500000 I\n0.304283 0.803499 0.000000 I\n0.803499 0.695718 0.000000 I\n0.696502 0.195717 0.500000 I\n0.695718 0.196502 0.000000 I\n0.804283 0.696502 0.500000 I\n0.196502 0.304283 0.000000 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Pt",
"I"
],
"chemical_system": "I-K-Pt",
"density": 5.11796902053684,
"density_atomic": 0.026808560889491812,
"volume": 671.4273128721163,
"volume_molar": 22.46349882346913,
"formula_full": "K4 Pt2 I12",
"formula_reduced": "K2PtI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 128
},
{
"id": "jvasp-99041",
"created_at": "2022-09-04T14:36:33.091026Z",
"updated_at": "2022-09-04T14:36:33.091058Z",
"structure_string": "Rb12 Bi4 O12\n1.0\n8.756028 0.000000 0.000000\n0.000000 8.756028 0.000000\n-0.000000 -0.000000 8.756028\nRb Bi O\n12 4 12\ndirect\n0.211154 0.711154 0.788846 Rb\n0.293198 0.706802 0.206802 Rb\n0.206802 0.293198 0.706802 Rb\n0.029331 0.029331 0.029331 Rb\n0.470669 0.970669 0.529331 Rb\n0.529331 0.470669 0.970669 Rb\n0.970669 0.529331 0.470669 Rb\n0.793198 0.793198 0.793198 Rb\n0.706802 0.206802 0.293198 Rb\n0.711154 0.788846 0.211154 Rb\n0.288846 0.288846 0.288846 Rb\n0.788846 0.211154 0.711154 Rb\n0.020503 0.979498 0.479498 Bi\n0.479498 0.020503 0.979498 Bi\n0.520503 0.520503 0.520503 Bi\n0.979498 0.479498 0.020503 Bi\n0.785075 0.931728 0.495001 O\n0.285075 0.568272 0.504999 O\n0.068272 0.995001 0.714925 O\n0.714925 0.068272 0.995001 O\n0.995001 0.714925 0.068272 O\n0.504999 0.285075 0.568272 O\n0.214925 0.431728 0.004999 O\n0.004999 0.214925 0.431728 O\n0.495001 0.785075 0.931728 O\n0.568272 0.504999 0.285075 O\n0.931728 0.495001 0.785075 O\n0.431728 0.004999 0.214925 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Bi",
"O"
],
"chemical_system": "Bi-O-Rb",
"density": 5.079585809687214,
"density_atomic": 0.04170965583387099,
"volume": 671.3073853096182,
"volume_molar": 14.438241312721702,
"formula_full": "Rb12 Bi4 O12",
"formula_reduced": "Rb3BiO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.6522921142857144,
"spacegroup": 198
},
{
"id": "jvasp-116569",
"created_at": "2022-09-04T14:38:32.369133Z",
"updated_at": "2022-09-04T14:38:32.369156Z",
"structure_string": "Sr4 Er8 S16\n1.0\n3.950269 -0.000000 0.000000\n0.000000 11.944143 0.000000\n-0.000000 -0.000000 14.226682\nSr Er S\n4 8 16\ndirect\n0.250000 0.758300 0.337184 Sr\n0.250000 0.258300 0.162816 Sr\n0.750000 0.241700 0.662816 Sr\n0.750000 0.741700 0.837184 Sr\n0.750000 0.081258 0.399826 Er\n0.750000 0.581258 0.100174 Er\n0.250000 0.418742 0.899826 Er\n0.250000 0.918742 0.600174 Er\n0.750000 0.566417 0.610014 Er\n0.250000 0.933582 0.110014 Er\n0.250000 0.433582 0.389986 Er\n0.750000 0.066417 0.889986 Er\n0.250000 0.023745 0.283937 S\n0.250000 0.913082 0.921948 S\n0.250000 0.413082 0.578052 S\n0.750000 0.476255 0.783937 S\n0.750000 0.976254 0.716062 S\n0.250000 0.523745 0.216063 S\n0.750000 0.370518 0.027386 S\n0.250000 0.706859 0.672199 S\n0.250000 0.629482 0.972614 S\n0.250000 0.129482 0.527386 S\n0.750000 0.293141 0.327801 S\n0.750000 0.793141 0.172199 S\n0.750000 0.586918 0.421948 S\n0.250000 0.206859 0.827801 S\n0.750000 0.870518 0.472614 S\n0.750000 0.086918 0.078052 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sr",
"Er",
"S"
],
"chemical_system": "Er-S-Sr",
"density": 5.446288548764559,
"density_atomic": 0.04171312648319851,
"volume": 671.2515306489439,
"volume_molar": 14.437040010476409,
"formula_full": "Sr4 Er8 S16",
"formula_reduced": "Sr(ErS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2556409014285714,
"spacegroup": 62
},
{
"id": "jvasp-95088",
"created_at": "2022-09-04T14:36:05.020297Z",
"updated_at": "2022-09-04T14:36:05.020322Z",
"structure_string": "Al4 Se4 Br12 N4\n1.0\n7.661098 0.038533 0.000000\n-3.301317 8.855755 0.000000\n0.000000 0.000000 9.873732\nAl Se Br N\n4 4 12 4\ndirect\n0.386239 0.158777 0.128591 Al\n0.113761 0.341223 0.628591 Al\n0.886239 0.658777 0.371409 Al\n0.613761 0.841223 0.871409 Al\n0.469806 0.631589 0.464425 Se\n0.530193 0.368411 0.535575 Se\n0.969807 0.131588 0.035575 Se\n0.030192 0.868412 0.964425 Se\n0.118485 0.712763 0.533694 Br\n0.685582 0.624936 0.828879 Br\n0.314418 0.375065 0.171121 Br\n0.381515 0.787238 0.033694 Br\n0.429042 0.046419 0.324235 Br\n0.070958 0.453581 0.824235 Br\n0.929042 0.546419 0.175765 Br\n0.814418 0.875065 0.328879 Br\n0.618485 0.212763 0.966306 Br\n0.570958 0.953581 0.675764 Br\n0.185582 0.124935 0.671121 Br\n0.881515 0.287237 0.466306 Br\n0.653530 0.549248 0.453589 N\n0.846470 0.950752 0.953589 N\n0.346470 0.450752 0.546411 N\n0.153530 0.049248 0.046411 N\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Al",
"Se",
"Br",
"N"
],
"chemical_system": "Al-Br-N-Se",
"density": 3.559508440951433,
"density_atomic": 0.03576018459866326,
"volume": 671.1374750816342,
"volume_molar": 16.84035143438581,
"formula_full": "Al4 Se4 Br12 N4",
"formula_reduced": "AlSeBr3N",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.375495288611111,
"spacegroup": 14
},
{
"id": "jvasp-57108",
"created_at": "2022-09-04T14:38:32.259553Z",
"updated_at": "2022-09-04T14:38:32.259584Z",
"structure_string": "Nd6 Si4 S16 I2\n1.0\n7.827316 0.000000 0.000000\n-3.913658 7.887680 -1.137584\n0.000000 -0.018898 10.869870\nNd Si S I\n6 4 16 2\ndirect\n0.398647 -0.000000 0.750000 Nd\n0.076448 0.396655 0.681012 Nd\n0.320208 0.396656 0.181012 Nd\n0.679792 0.603344 0.818988 Nd\n0.923552 0.603344 0.318988 Nd\n0.601353 -0.000000 0.250000 Nd\n0.622017 0.318890 0.527718 Si\n0.303126 0.681110 0.972282 Si\n0.377983 0.681110 0.472282 Si\n0.696874 0.318890 0.027718 Si\n0.713710 0.565234 0.085320 S\n0.410968 0.134860 0.040135 S\n0.851524 0.565234 0.585320 S\n0.107942 0.710547 0.853753 S\n0.892058 0.289453 0.146247 S\n0.589032 0.865140 0.959865 S\n0.723893 0.134860 0.540135 S\n0.748761 0.297809 0.835934 S\n0.602605 0.710547 0.353753 S\n0.397395 0.289452 0.646247 S\n0.276108 0.865140 0.459865 S\n0.549049 0.297809 0.335934 S\n0.450951 0.702191 0.664066 S\n0.148476 0.434766 0.414680 S\n0.251240 0.702191 0.164066 S\n0.286291 0.434766 0.914680 S\n0.983253 -0.000000 0.750000 I\n0.016747 -0.000000 0.250000 I\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Nd",
"Si",
"S",
"I"
],
"chemical_system": "I-Nd-S-Si",
"density": 4.317954517687311,
"density_atomic": 0.041733080206873656,
"volume": 670.9305869876399,
"volume_molar": 14.430137267960685,
"formula_full": "Nd6 Si4 S16 I2",
"formula_reduced": "Nd3Si2S8I",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.1847198553571427,
"spacegroup": 15
},
{
"id": "jvasp-98367",
"created_at": "2022-09-04T14:36:01.523487Z",
"updated_at": "2022-09-04T14:36:01.523507Z",
"structure_string": "Ba6 Te8 O22\n1.0\n7.473914 0.003606 -2.800951\n-2.810478 8.946316 -1.266736\n-0.017155 0.016919 10.033335\nBa Te O\n6 8 22\ndirect\n0.281900 0.544220 0.628075 Ba\n0.307115 0.011560 0.111028 Ba\n0.692884 0.988441 0.888971 Ba\n0.718099 0.455781 0.371924 Ba\n0.855213 0.596663 0.821364 Ba\n0.144786 0.403338 0.178635 Ba\n0.913616 0.112606 0.299761 Te\n0.086383 0.887395 0.700238 Te\n0.524437 0.688518 0.059689 Te\n0.052262 0.760081 0.282359 Te\n0.947737 0.239920 0.717640 Te\n0.568878 0.813082 0.461476 Te\n0.431121 0.186919 0.538523 Te\n0.475562 0.311483 0.940310 Te\n0.664182 0.124022 0.632031 O\n0.071627 0.684264 0.106463 O\n0.928372 0.315737 0.893536 O\n0.335817 0.875979 0.367968 O\n0.857916 0.729453 0.579899 O\n0.528227 0.788732 0.630415 O\n0.142083 0.270548 0.420100 O\n0.211057 0.765272 0.807548 O\n0.788942 0.234729 0.192451 O\n0.998229 0.954559 0.842675 O\n0.001770 0.045442 0.157324 O\n0.594872 0.687102 0.898739 O\n0.534446 0.387304 0.648480 O\n0.405126 0.312899 0.101260 O\n0.402954 0.101915 0.868071 O\n0.737122 0.638642 0.182726 O\n0.262877 0.361359 0.817273 O\n0.069033 0.596056 0.369401 O\n0.930966 0.403945 0.630598 O\n0.471772 0.211269 0.369584 O\n0.597045 0.898086 0.131928 O\n0.465553 0.612697 0.351519 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ba",
"Te",
"O"
],
"chemical_system": "Ba-O-Te",
"density": 5.437688743257799,
"density_atomic": 0.05366453247463565,
"volume": 670.834130848252,
"volume_molar": 11.22182656272342,
"formula_full": "Ba6 Te8 O22",
"formula_reduced": "Ba3Te4O11",
"formula_anonymous": "A3B4C11",
"energy_above_hull": 1.9462520820370373,
"spacegroup": 2
},
{
"id": "jvasp-98639",
"created_at": "2022-09-04T14:35:47.269117Z",
"updated_at": "2022-09-04T14:35:47.269144Z",
"structure_string": "Li8 B8 H16 O8 F32\n1.0\n5.044995 0.000000 0.000000\n0.000000 10.128727 0.000000\n0.000000 0.000000 13.125799\nLi B H O F\n8 8 16 8 32\ndirect\n0.041266 0.750000 0.000000 Li\n0.458734 0.750000 0.500000 Li\n0.958735 0.250000 0.000000 Li\n0.541266 0.250000 0.500000 Li\n0.250000 0.864505 0.250000 Li\n0.250000 0.635496 0.750000 Li\n0.750001 0.135495 0.750000 Li\n0.750001 0.364505 0.250000 Li\n0.023666 0.124893 0.375338 B\n0.023666 0.375107 0.624662 B\n0.476334 0.124893 0.124662 B\n0.476334 0.375107 0.875338 B\n0.976335 0.875107 0.624662 B\n0.976335 0.624893 0.375338 B\n0.523667 0.875107 0.875338 B\n0.523667 0.624893 0.124662 B\n0.530362 0.032817 0.600003 H\n0.530362 0.467183 0.399997 H\n0.969639 0.032817 0.899997 H\n0.969639 0.467183 0.100003 H\n0.469639 0.967183 0.399997 H\n0.469639 0.532818 0.600003 H\n0.030361 0.967183 0.100003 H\n0.030361 0.532818 0.899997 H\n0.818287 0.874125 0.147223 H\n0.318287 0.374125 0.352777 H\n0.181714 0.125875 0.852777 H\n0.181714 0.374125 0.147223 H\n0.681714 0.874125 0.352777 H\n0.681714 0.625875 0.647223 H\n0.818287 0.625875 0.852777 H\n0.318287 0.125875 0.647223 H\n0.997387 0.123480 0.876001 O\n0.502614 0.123480 0.623999 O\n0.502614 0.376520 0.376001 O\n0.997387 0.376520 0.123999 O\n0.497387 0.876520 0.376001 O\n0.497387 0.623480 0.623999 O\n0.002614 0.876520 0.123999 O\n0.002614 0.623480 0.876001 O\n0.772848 0.873838 0.926088 F\n0.727154 0.626162 0.426088 F\n0.727154 0.873838 0.573912 F\n0.227153 0.373838 0.926088 F\n0.227153 0.126162 0.073912 F\n0.272847 0.373838 0.573912 F\n0.505051 0.738766 0.186812 F\n0.772848 0.626162 0.073912 F\n0.505051 0.761234 0.813188 F\n0.994950 0.738766 0.313188 F\n0.994950 0.761234 0.686812 F\n0.494950 0.261234 0.813188 F\n0.494950 0.238766 0.186812 F\n0.272847 0.126162 0.426088 F\n0.006302 0.010159 0.314545 F\n0.006302 0.489841 0.685455 F\n0.493698 0.010159 0.185455 F\n0.493698 0.489841 0.814545 F\n0.993699 0.989841 0.685455 F\n0.993699 0.510159 0.314545 F\n0.506303 0.989841 0.814545 F\n0.506303 0.510159 0.185455 F\n0.817647 0.124712 0.447977 F\n0.817647 0.375288 0.552023 F\n0.682354 0.124712 0.052023 F\n0.682354 0.375288 0.947977 F\n0.182354 0.875288 0.552023 F\n0.182354 0.624712 0.447977 F\n0.317647 0.875288 0.947977 F\n0.317647 0.624712 0.052023 F\n0.005051 0.261234 0.686812 F\n0.005051 0.238766 0.313188 F\n",
"nsites": 72,
"nelements": 5,
"elements": [
"Li",
"B",
"H",
"O",
"F"
],
"chemical_system": "B-F-H-Li-O",
"density": 2.213541107190401,
"density_atomic": 0.10734730384274586,
"volume": 670.7201524639456,
"volume_molar": 5.609959956536863,
"formula_full": "Li8 B8 H16 O8 F32",
"formula_reduced": "LiBH2OF4",
"formula_anonymous": "ABCD2E4",
"energy_above_hull": 1.328285245925926,
"spacegroup": 52
}
]
}