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=-spacegroup&page=3523",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3521",
"results": [
{
"id": "jvasp-55730",
"created_at": "2022-09-04T14:38:36.904119Z",
"updated_at": "2022-09-04T14:38:36.904134Z",
"structure_string": "Li4 Be4 H12\n1.0\n4.388421 0.000000 0.000000\n-0.000000 4.530747 0.000000\n0.000000 0.000000 6.282258\nLi Be H\n4 4 12\ndirect\n0.489789 0.446797 0.750000 Li\n0.989789 0.053204 0.250000 Li\n0.010210 0.946797 0.750000 Li\n0.510210 0.553204 0.250000 Li\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.500000 0.500000 Be\n0.500000 0.000000 0.500000 Be\n0.794340 0.795199 0.040458 H\n0.294340 0.704802 0.959542 H\n0.705660 0.295199 0.040458 H\n0.205660 0.204802 0.959542 H\n0.794340 0.795199 0.459542 H\n0.079315 0.479748 0.250000 H\n0.420685 0.979748 0.250000 H\n0.920685 0.520253 0.750000 H\n0.205660 0.204802 0.540458 H\n0.579315 0.020253 0.750000 H\n0.294340 0.704802 0.540458 H\n0.705660 0.295199 0.459542 H\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Be",
"H"
],
"chemical_system": "Be-H-Li",
"density": 1.0091200331652015,
"density_atomic": 0.16011651591639225,
"volume": 124.9090381809417,
"volume_molar": 3.761099050609227,
"formula_full": "Li4 Be4 H12",
"formula_reduced": "LiBeH3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.14289522,
"spacegroup": 62
},
{
"id": "jvasp-54487",
"created_at": "2022-09-04T14:38:36.881195Z",
"updated_at": "2022-09-04T14:38:36.881215Z",
"structure_string": "Sr12 In4 P12\n1.0\n4.346039 0.000000 0.000000\n0.000000 12.862268 0.000000\n0.000000 0.000000 13.890282\nSr In P\n12 4 12\ndirect\n0.750000 0.644666 0.003610 Sr\n0.250000 0.773796 0.793208 Sr\n0.250000 0.855334 0.503610 Sr\n0.750000 0.144666 0.496389 Sr\n0.750000 0.927855 0.105120 Sr\n0.250000 0.355334 0.996389 Sr\n0.750000 0.726205 0.293208 Sr\n0.750000 0.427855 0.394880 Sr\n0.250000 0.572145 0.605120 Sr\n0.250000 0.072145 0.894880 Sr\n0.250000 0.273796 0.706791 Sr\n0.750000 0.226205 0.206791 Sr\n0.250000 0.552592 0.201518 In\n0.250000 0.052592 0.298482 In\n0.750000 0.947409 0.701518 In\n0.750000 0.447409 0.798482 In\n0.750000 0.256176 0.872317 P\n0.250000 0.596814 0.386237 P\n0.250000 0.096814 0.113763 P\n0.750000 0.403186 0.613763 P\n0.250000 0.243824 0.372317 P\n0.250000 0.547927 0.858126 P\n0.750000 0.452073 0.141873 P\n0.750000 0.952073 0.358127 P\n0.250000 0.047927 0.641873 P\n0.750000 0.756176 0.627683 P\n0.750000 0.903186 0.886237 P\n0.250000 0.743824 0.127683 P\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sr",
"In",
"P"
],
"chemical_system": "In-P-Sr",
"density": 4.025669490975862,
"density_atomic": 0.03606083634260014,
"volume": 776.4656297480948,
"volume_molar": 16.699947563018107,
"formula_full": "Sr12 In4 P12",
"formula_reduced": "Sr3InP3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.9472007714285712,
"spacegroup": 62
},
{
"id": "jvasp-30787",
"created_at": "2022-09-04T14:38:36.800868Z",
"updated_at": "2022-09-04T14:38:36.800892Z",
"structure_string": "Mg4 V12 O28\n1.0\n5.267702 -0.000000 -0.000000\n-0.000000 10.111882 0.000000\n0.000001 -0.000000 10.058089\nMg V O\n4 12 28\ndirect\n0.651545 0.750000 0.919914 Mg\n0.151544 0.250000 0.580085 Mg\n0.348454 0.250000 0.080086 Mg\n0.848455 0.750000 0.419915 Mg\n0.713103 0.973358 0.681438 V\n0.286897 0.473358 0.318562 V\n0.786897 0.526641 0.181438 V\n0.204081 0.750000 0.712232 V\n0.704081 0.250000 0.787769 V\n0.213102 0.026641 0.818562 V\n0.295919 0.750000 0.212231 V\n0.213102 0.473358 0.818562 V\n0.713103 0.526641 0.681438 V\n0.786897 0.973358 0.181438 V\n0.286897 0.026641 0.318562 V\n0.795919 0.250000 0.287769 V\n0.972938 0.618611 0.782688 O\n0.183371 0.750000 0.548331 O\n0.683369 0.250000 0.951670 O\n0.816629 0.250000 0.451669 O\n0.316631 0.750000 0.048330 O\n0.772769 0.907411 0.031237 O\n0.727230 0.592588 0.531237 O\n0.272770 0.092588 0.468763 O\n0.772769 0.592588 0.031237 O\n0.272770 0.407411 0.468763 O\n0.472937 0.381388 0.717313 O\n0.227231 0.407411 0.968763 O\n0.027062 0.118612 0.217312 O\n0.547169 0.121189 0.214246 O\n0.027062 0.381388 0.217312 O\n0.527062 0.618611 0.282687 O\n0.972938 0.881388 0.782688 O\n0.472937 0.118612 0.717313 O\n0.452831 0.621189 0.785754 O\n0.952831 0.378811 0.714247 O\n0.227231 0.092588 0.968763 O\n0.047169 0.878811 0.285753 O\n0.547169 0.378811 0.214246 O\n0.047169 0.621189 0.285753 O\n0.452831 0.878811 0.785754 O\n0.952831 0.121189 0.714247 O\n0.527062 0.881388 0.282687 O\n0.727230 0.907411 0.531237 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Mg",
"V",
"O"
],
"chemical_system": "Mg-O-V",
"density": 3.584482955015592,
"density_atomic": 0.082126631622424,
"volume": 535.7580011595917,
"volume_molar": 7.332750218816601,
"formula_full": "Mg4 V12 O28",
"formula_reduced": "MgV3O7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.9667787409090907,
"spacegroup": 62
},
{
"id": "jvasp-19372",
"created_at": "2022-09-04T14:38:36.751192Z",
"updated_at": "2022-09-04T14:38:36.751216Z",
"structure_string": "Mn4 Zn4 O12\n1.0\n5.038018 0.000000 0.000000\n0.000000 5.119533 0.000000\n0.000000 0.000000 7.325637\nMn Zn O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.996211 0.043360 0.250000 Zn\n0.496211 0.456639 0.750000 Zn\n0.503790 0.543360 0.250000 Zn\n0.003790 0.956639 0.750000 Zn\n0.183067 0.187731 0.938688 O\n0.683067 0.312269 0.061312 O\n0.316933 0.687731 0.938688 O\n0.816933 0.812269 0.061312 O\n0.183067 0.187731 0.561312 O\n0.385297 0.940066 0.250000 O\n0.114704 0.440066 0.250000 O\n0.614704 0.059933 0.750000 O\n0.316933 0.687731 0.561312 O\n0.885297 0.559933 0.750000 O\n0.683067 0.312269 0.438688 O\n0.816933 0.812269 0.438688 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"O"
],
"chemical_system": "Mn-O-Zn",
"density": 5.917993536872072,
"density_atomic": 0.10585089619884999,
"volume": 188.9450228406974,
"volume_molar": 5.689267617240473,
"formula_full": "Mn4 Zn4 O12",
"formula_reduced": "MnZnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7718256282758618,
"spacegroup": 62
},
{
"id": "jvasp-119668",
"created_at": "2022-09-04T14:38:36.697099Z",
"updated_at": "2022-09-04T14:38:36.697125Z",
"structure_string": "Tb8 Mg4 S16\n1.0\n3.852830 -0.000000 0.000000\n0.000000 12.634766 0.000000\n-0.000000 -0.000000 13.386155\nTb Mg S\n8 4 16\ndirect\n0.250000 0.118360 0.075967 Tb\n0.750000 0.881640 0.924033 Tb\n0.750000 0.381640 0.575967 Tb\n0.250000 0.618360 0.424033 Tb\n0.250000 0.137331 0.705981 Tb\n0.750000 0.862670 0.294019 Tb\n0.750000 0.362669 0.205981 Tb\n0.250000 0.637331 0.794019 Tb\n0.750000 0.611433 0.047214 Mg\n0.250000 0.388567 0.952785 Mg\n0.250000 0.888568 0.547214 Mg\n0.750000 0.111433 0.452785 Mg\n0.250000 0.737222 0.984950 S\n0.750000 0.262778 0.015050 S\n0.250000 0.725601 0.249344 S\n0.750000 0.274400 0.750655 S\n0.750000 0.774400 0.749344 S\n0.250000 0.225601 0.250656 S\n0.250000 0.527412 0.616465 S\n0.250000 0.992467 0.384267 S\n0.750000 0.972589 0.116466 S\n0.250000 0.027412 0.883534 S\n0.750000 0.507533 0.884266 S\n0.250000 0.492467 0.115733 S\n0.250000 0.237222 0.515050 S\n0.750000 0.007533 0.615733 S\n0.750000 0.472588 0.383534 S\n0.750000 0.762779 0.484950 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"S"
],
"chemical_system": "Mg-S-Tb",
"density": 4.794993217311717,
"density_atomic": 0.04296898865304193,
"volume": 651.6327443982738,
"volume_molar": 14.015086109255378,
"formula_full": "Tb8 Mg4 S16",
"formula_reduced": "Tb2MgS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2777379785714285,
"spacegroup": 62
},
{
"id": "jvasp-59092",
"created_at": "2022-09-04T14:38:36.675826Z",
"updated_at": "2022-09-04T14:38:36.675854Z",
"structure_string": "Rb4 Ga4 Cl16\n1.0\n7.028187 0.000000 0.000000\n-0.000000 9.261600 0.000000\n0.000000 0.000000 11.053057\nRb Ga Cl\n4 4 16\ndirect\n0.750000 0.819842 0.682749 Rb\n0.250000 0.180158 0.317251 Rb\n0.250000 0.319842 0.817251 Rb\n0.750000 0.680158 0.182749 Rb\n0.250000 0.810475 0.931827 Ga\n0.750000 0.189525 0.068174 Ga\n0.750000 0.310475 0.568174 Ga\n0.250000 0.689525 0.431826 Ga\n-0.001786 0.830740 0.422941 Cl\n0.498214 0.169260 0.577059 Cl\n-0.001786 0.669260 0.922941 Cl\n0.498214 0.330740 0.077059 Cl\n0.001786 0.169260 0.577059 Cl\n0.501786 0.830740 0.422941 Cl\n0.250000 0.550974 0.270769 Cl\n0.250000 0.568315 0.602325 Cl\n0.750000 0.050974 0.229231 Cl\n0.250000 0.949026 0.770769 Cl\n0.501786 0.669260 0.922941 Cl\n0.750000 0.431685 0.397675 Cl\n0.750000 0.068315 0.897675 Cl\n0.250000 0.931685 0.102325 Cl\n0.750000 0.449026 0.729231 Cl\n0.001786 0.330740 0.077059 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Ga",
"Cl"
],
"chemical_system": "Cl-Ga-Rb",
"density": 2.7419396654059076,
"density_atomic": 0.03335796152670883,
"volume": 719.4684237759506,
"volume_molar": 18.05308383480877,
"formula_full": "Rb4 Ga4 Cl16",
"formula_reduced": "RbGaCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-58843",
"created_at": "2022-09-04T14:38:36.674302Z",
"updated_at": "2022-09-04T14:38:36.674328Z",
"structure_string": "Tl4 Cd4 Br12\n1.0\n4.168031 -0.000000 0.000000\n0.000000 9.393703 0.000000\n0.000000 0.000000 15.454657\nTl Cd Br\n4 4 12\ndirect\n0.250000 0.933253 0.324207 Tl\n0.750000 0.066746 0.675793 Tl\n0.250000 0.433254 0.175793 Tl\n0.750000 0.566746 0.824208 Tl\n0.250000 0.667323 0.557386 Cd\n0.750000 0.332677 0.442614 Cd\n0.250000 0.167323 0.942614 Cd\n0.750000 0.832677 0.057386 Cd\n0.250000 0.291278 0.784990 Br\n0.750000 0.708722 0.215011 Br\n0.750000 0.836741 0.493370 Br\n0.250000 0.163259 0.506630 Br\n0.750000 0.336741 0.006630 Br\n0.750000 0.474174 0.605476 Br\n0.750000 0.974174 0.894524 Br\n0.250000 0.025825 0.105476 Br\n0.750000 0.208722 0.284990 Br\n0.250000 0.525825 0.394524 Br\n0.250000 0.663258 0.993370 Br\n0.250000 0.791277 0.715011 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tl",
"Cd",
"Br"
],
"chemical_system": "Br-Cd-Tl",
"density": 6.1087455796827514,
"density_atomic": 0.033052389308611936,
"volume": 605.0999766842549,
"volume_molar": 18.219986167326507,
"formula_full": "Tl4 Cd4 Br12",
"formula_reduced": "TlCdBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-54491",
"created_at": "2022-09-04T14:38:36.670920Z",
"updated_at": "2022-09-04T14:38:36.670946Z",
"structure_string": "Rb8 Zn4 Cl16\n1.0\n7.137058 0.000000 0.000000\n0.000000 9.297487 0.000000\n0.000000 0.000000 12.557915\nRb Zn Cl\n8 4 16\ndirect\n0.749264 0.871702 0.911510 Rb\n0.249264 0.478371 0.826962 Rb\n0.749264 0.521630 0.173038 Rb\n0.249264 0.978371 0.673037 Rb\n0.249264 0.628299 0.411510 Rb\n0.249264 0.128298 0.088490 Rb\n0.749264 0.371702 0.588490 Rb\n0.749264 0.021630 0.326962 Rb\n0.249361 0.726967 0.076755 Zn\n0.249361 0.226967 0.423245 Zn\n0.749361 0.773033 0.576755 Zn\n0.749361 0.273033 0.923245 Zn\n0.492102 0.173628 0.846093 Cl\n0.249185 0.313360 0.594060 Cl\n0.249526 0.983587 0.406860 Cl\n0.749185 0.186640 0.094061 Cl\n0.492102 0.673628 0.653906 Cl\n0.249526 0.483587 0.093140 Cl\n0.749185 0.686641 0.405939 Cl\n-0.007898 0.826373 0.153906 Cl\n0.249185 0.813360 0.905939 Cl\n-0.007898 0.326372 0.346094 Cl\n0.006699 0.673502 0.653726 Cl\n0.749527 0.016413 0.593140 Cl\n0.006699 0.173502 0.846273 Cl\n0.506699 0.826498 0.153726 Cl\n0.749527 0.516413 0.906860 Cl\n0.506699 0.326498 0.346273 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Zn",
"Cl"
],
"chemical_system": "Cl-Rb-Zn",
"density": 3.014244161185938,
"density_atomic": 0.03360126952950181,
"volume": 833.3018481761854,
"volume_molar": 17.92236080458978,
"formula_full": "Rb8 Zn4 Cl16",
"formula_reduced": "Rb2ZnCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.775557561562892e-17,
"spacegroup": 62
},
{
"id": "jvasp-51638",
"created_at": "2022-09-04T14:38:36.619813Z",
"updated_at": "2022-09-04T14:38:36.619835Z",
"structure_string": "Ge12 N16\n1.0\n4.914313 -0.000000 0.000000\n0.000000 5.977230 0.000000\n0.000000 0.000000 10.100432\nGe N\n12 16\ndirect\n0.552538 0.750000 0.095964 Ge\n0.500000 0.500000 0.500000 Ge\n0.000000 0.500000 0.000000 Ge\n0.015965 0.750000 0.279521 Ge\n0.000000 0.000000 0.000000 Ge\n0.447462 0.250000 0.904036 Ge\n0.984034 0.250000 0.720478 Ge\n0.500000 0.000000 0.500000 Ge\n0.515965 0.250000 0.220478 Ge\n0.052538 0.250000 0.404036 Ge\n0.947461 0.750000 0.595964 Ge\n0.484034 0.750000 0.779521 Ge\n0.255565 0.004115 0.837627 N\n0.319375 0.750000 0.594562 N\n0.255565 0.495885 0.837627 N\n0.180625 0.750000 0.094562 N\n0.819375 0.250000 0.905437 N\n0.757714 0.750000 0.430752 N\n0.744435 0.995885 0.162373 N\n0.755564 0.504116 0.662373 N\n0.755564 0.995885 0.662373 N\n0.742285 0.750000 0.930752 N\n0.257715 0.250000 0.069248 N\n0.744435 0.504116 0.162373 N\n0.244435 0.004115 0.337627 N\n0.680625 0.250000 0.405437 N\n0.242285 0.250000 0.569248 N\n0.244435 0.495885 0.337627 N\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Ge",
"N"
],
"chemical_system": "Ge-N",
"density": 6.13299470849582,
"density_atomic": 0.09437463843112005,
"volume": 296.68987839816714,
"volume_molar": 6.381100749218021,
"formula_full": "Ge12 N16",
"formula_reduced": "Ge3N4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.7647758357142855,
"spacegroup": 62
},
{
"id": "jvasp-20913",
"created_at": "2022-09-04T14:38:36.595217Z",
"updated_at": "2022-09-04T14:38:36.595243Z",
"structure_string": "Rb12 Nb4 S16\n1.0\n9.599277 0.000000 0.000000\n-0.000000 9.657139 0.000000\n0.000000 0.000000 10.990389\nRb Nb S\n12 4 16\ndirect\n0.051258 0.290824 0.542538 Rb\n0.858301 0.915465 0.750000 Rb\n0.141699 0.084535 0.250000 Rb\n0.641699 0.415465 0.250000 Rb\n0.948742 0.709176 0.457462 Rb\n0.448742 0.790825 0.042538 Rb\n0.551259 0.209176 0.542538 Rb\n0.051258 0.290824 0.957462 Rb\n0.948742 0.709176 0.042538 Rb\n0.551259 0.209176 0.957462 Rb\n0.448742 0.790825 0.457462 Rb\n0.358301 0.584535 0.750000 Rb\n0.217865 0.515394 0.250000 Nb\n0.717865 0.984606 0.250000 Nb\n0.282135 0.015394 0.750000 Nb\n0.782135 0.484606 0.750000 Nb\n0.833498 0.050243 0.423214 S\n0.166502 0.949757 0.923214 S\n0.166502 0.949757 0.576786 S\n0.666503 0.550243 0.923214 S\n0.333498 0.449757 0.423214 S\n0.833498 0.050243 0.076786 S\n0.997035 0.421070 0.250000 S\n0.497035 0.078930 0.250000 S\n0.002965 0.578930 0.750000 S\n0.699121 0.747843 0.250000 S\n0.199121 0.752157 0.250000 S\n0.800879 0.247843 0.750000 S\n0.300879 0.252157 0.750000 S\n0.333498 0.449757 0.076786 S\n0.502965 0.921070 0.750000 S\n0.666503 0.550243 0.576786 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Rb",
"Nb",
"S"
],
"chemical_system": "Nb-Rb-S",
"density": 3.113478387405185,
"density_atomic": 0.031408696100748035,
"volume": 1018.8261205544883,
"volume_molar": 19.173482212324554,
"formula_full": "Rb12 Nb4 S16",
"formula_reduced": "Rb3NbS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.322312425,
"spacegroup": 62
},
{
"id": "jvasp-33935",
"created_at": "2022-09-04T14:38:36.591622Z",
"updated_at": "2022-09-04T14:38:36.591658Z",
"structure_string": "Te4 Mo4 S4\n1.0\n1.852073 2.816569 0.000009\n0.000112 -0.000002 -14.047810\n-4.819575 3.169188 0.000140\nTe Mo S\n4 4 4\ndirect\n0.499992 0.610819 0.900316 Te\n0.500010 0.110822 0.099662 Te\n0.000008 0.389182 0.599683 Te\n-0.000010 0.889177 0.400338 Te\n0.499996 0.750509 0.232458 Mo\n0.500004 0.250512 0.767536 Mo\n0.999996 0.749486 0.732462 Mo\n0.000004 0.249493 0.267549 Mo\n0.500000 0.353057 0.101273 S\n0.499998 0.853055 0.898757 S\n0.000000 0.646942 0.398727 S\n0.000001 0.146943 0.601249 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.215541795606404,
"density_atomic": 0.043932083807914815,
"volume": 273.14889164984424,
"volume_molar": 13.707842282944588,
"formula_full": "Te4 Mo4 S4",
"formula_reduced": "TeMoS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.408157888888889,
"spacegroup": 62
},
{
"id": "jvasp-20842",
"created_at": "2022-09-04T14:38:36.513082Z",
"updated_at": "2022-09-04T14:38:36.513102Z",
"structure_string": "Be4 Al8 O16\n1.0\n4.461366 -0.000000 0.000000\n-0.000000 5.523769 0.000000\n0.000000 0.000000 9.484499\nBe Al O\n4 8 16\ndirect\n0.066654 0.250000 0.407322 Be\n0.933347 0.750000 0.592678 Be\n0.433346 0.250000 0.907322 Be\n0.566654 0.750000 0.092678 Be\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.505642 0.250000 0.227040 Al\n0.994359 0.250000 0.727040 Al\n0.494358 0.750000 0.772960 Al\n0.005642 0.750000 0.272960 Al\n0.212874 0.750000 0.090382 O\n0.259360 0.250000 0.066461 O\n0.759360 0.750000 0.433539 O\n0.287127 0.750000 0.590382 O\n0.787127 0.250000 0.909618 O\n0.712874 0.250000 0.409618 O\n0.743006 0.515849 0.163200 O\n0.256995 0.484151 0.836800 O\n0.243005 0.484151 0.336800 O\n0.256995 0.015849 0.836800 O\n0.743006 0.984151 0.163200 O\n0.243005 0.015849 0.336800 O\n0.240640 0.250000 0.566461 O\n0.756995 0.515849 0.663200 O\n0.756995 0.984151 0.663200 O\n0.740641 0.750000 0.933539 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Be",
"Al",
"O"
],
"chemical_system": "Al-Be-O",
"density": 3.608296618500159,
"density_atomic": 0.11979543659488218,
"volume": 233.73177473102675,
"volume_molar": 5.027020169695908,
"formula_full": "Be4 Al8 O16",
"formula_reduced": "BeAl2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.9570608142857135,
"spacegroup": 62
}
]
}