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=nsites&page=4528",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4526",
"results": [
{
"id": "jvasp-20846",
"created_at": "2022-09-04T14:38:29.094913Z",
"updated_at": "2022-09-04T14:38:29.094935Z",
"structure_string": "Li12 Ta4 O16\n1.0\n5.720644 -0.004213 -1.934621\n-0.660200 5.682421 -1.934621\n-0.027546 -0.030908 9.314625\nLi Ta O\n12 4 16\ndirect\n0.942962 0.696664 0.137252 Li\n0.057037 0.303336 0.862748 Li\n0.696663 0.942962 0.637251 Li\n0.303336 0.057038 0.362748 Li\n0.805442 0.568586 0.387214 Li\n0.431414 0.194557 0.112786 Li\n0.194557 0.431414 0.612786 Li\n0.568585 0.805443 0.887214 Li\n0.561154 0.359275 0.874894 Li\n0.640724 0.438845 0.625105 Li\n0.438845 0.640725 0.125106 Li\n0.359275 0.561155 0.374894 Li\n0.937813 0.222034 0.124793 Ta\n0.777966 0.062186 0.375207 Ta\n0.222033 0.937814 0.624793 Ta\n0.062185 0.777966 0.875206 Ta\n0.957911 0.709290 0.636203 O\n0.290710 0.042087 0.863796 O\n0.042087 0.290710 0.363797 O\n0.709289 0.957913 0.136203 O\n0.696579 0.424556 0.117874 O\n0.575444 0.303421 0.382126 O\n0.303420 0.575444 0.882125 O\n0.424555 0.696579 0.617874 O\n0.430496 0.180516 0.632176 O\n0.819483 0.569503 0.867824 O\n0.569502 0.819484 0.367824 O\n0.180515 0.430497 0.132176 O\n0.948619 0.167544 0.613855 O\n0.167543 0.948619 0.113855 O\n0.051380 0.832456 0.386145 O\n0.832455 0.051381 0.886144 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Ta",
"O"
],
"chemical_system": "Li-O-Ta",
"density": 5.843716317320339,
"density_atomic": 0.1059318463546118,
"volume": 302.08101813762886,
"volume_molar": 5.684920037965356,
"formula_full": "Li12 Ta4 O16",
"formula_reduced": "Li3TaO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.34520415,
"spacegroup": 15
},
{
"id": "jvasp-22951",
"created_at": "2022-09-04T14:38:19.984303Z",
"updated_at": "2022-09-04T14:38:19.984326Z",
"structure_string": "Sr8 Sn4 S12 F8\n1.0\n5.966276 -0.000000 0.000000\n-0.000000 5.951323 0.000000\n0.000000 0.000000 19.008294\nSr Sn S F\n8 4 12 8\ndirect\n0.246771 0.497318 0.073877 Sr\n0.746771 0.002682 0.426123 Sr\n0.253229 0.997318 0.926123 Sr\n0.753230 0.502681 0.573877 Sr\n0.246771 0.497318 0.426123 Sr\n0.746771 0.002682 0.073877 Sr\n0.253229 0.997318 0.573877 Sr\n0.753230 0.502681 0.926123 Sr\n0.156958 0.568996 0.750000 Sn\n0.656958 0.931003 0.750000 Sn\n0.843043 0.431003 0.250000 Sn\n0.343042 0.068996 0.250000 Sn\n0.744585 0.519026 0.750000 S\n0.257200 0.487743 0.631746 S\n0.757200 0.012256 0.868253 S\n0.242801 0.987743 0.368253 S\n0.742801 0.512256 0.131746 S\n0.244585 0.980973 0.750000 S\n0.257200 0.487743 0.868253 S\n0.255416 0.480973 0.250000 S\n0.757200 0.012256 0.631746 S\n0.242801 0.987743 0.131746 S\n0.742801 0.512256 0.368253 S\n0.755416 0.019027 0.250000 S\n0.000789 0.752529 0.499661 F\n0.500789 0.747470 0.499661 F\n0.000789 0.752529 0.000338 F\n0.999212 0.247470 0.500338 F\n0.499212 0.252530 0.999661 F\n0.499212 0.252530 0.500338 F\n0.999212 0.247470 0.999661 F\n0.500789 0.747470 0.000338 F\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Sr",
"Sn",
"S",
"F"
],
"chemical_system": "F-S-Sn-Sr",
"density": 4.21343912522135,
"density_atomic": 0.04741218563615221,
"volume": 674.9319730917387,
"volume_molar": 12.70167295432182,
"formula_full": "Sr8 Sn4 S12 F8",
"formula_reduced": "Sr2SnS3F2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 0.386445610625,
"spacegroup": 62
},
{
"id": "jvasp-30975",
"created_at": "2022-09-04T14:38:31.724391Z",
"updated_at": "2022-09-04T14:38:31.724416Z",
"structure_string": "H20 N4 F8\n1.0\n3.589194 0.000000 0.000000\n0.000000 8.177412 0.000000\n0.000000 0.000000 8.386399\nH N F\n20 4 8\ndirect\n0.371911 0.794901 0.341637 H\n0.293116 0.156071 0.793592 H\n0.293116 0.343929 0.706408 H\n0.706883 0.656071 0.706408 H\n0.706883 0.843929 0.793592 H\n0.000000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 H\n0.293116 0.156071 0.206408 H\n0.293116 0.343929 0.293592 H\n0.000000 0.500000 0.000000 H\n0.706883 0.843929 0.206408 H\n0.371911 0.794901 0.658363 H\n0.371911 0.705099 0.841637 H\n0.628088 0.294901 0.841637 H\n0.628088 0.205099 0.658363 H\n0.628088 0.205099 0.341637 H\n0.628088 0.294901 0.158363 H\n0.371911 0.705099 0.158363 H\n0.706883 0.656071 0.293592 H\n0.539187 0.750000 0.250000 N\n0.460812 0.250000 0.250000 N\n0.460812 0.250000 0.750000 N\n0.539187 0.750000 0.750000 N\n0.909302 0.135153 0.500000 F\n0.000000 0.500000 0.362737 F\n0.000000 0.000000 0.137263 F\n0.000000 0.500000 0.637263 F\n0.000000 0.000000 0.862737 F\n0.090697 0.635153 0.000000 F\n0.090697 0.864846 0.500000 F\n0.909302 0.364846 0.000000 F\n",
"nsites": 32,
"nelements": 3,
"elements": [
"H",
"N",
"F"
],
"chemical_system": "F-H-N",
"density": 1.5393050165131574,
"density_atomic": 0.1300054757822287,
"volume": 246.14347824550853,
"volume_molar": 4.632220853595157,
"formula_full": "H20 N4 F8",
"formula_reduced": "H5NF2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.442667976875,
"spacegroup": 53
},
{
"id": "jvasp-23021",
"created_at": "2022-09-04T14:37:41.717795Z",
"updated_at": "2022-09-04T14:37:41.717815Z",
"structure_string": "K12 P4 S16\n1.0\n8.980977 0.000000 0.000000\n-0.000000 9.078173 0.000000\n0.000000 0.000000 10.470199\nK P S\n12 4 16\ndirect\n0.646300 0.414446 0.250000 K\n0.853701 0.914446 0.750000 K\n0.146299 0.085554 0.250000 K\n0.353701 0.585554 0.750000 K\n0.450671 0.797482 0.042542 K\n0.049329 0.297482 0.957458 K\n0.950671 0.702518 0.457458 K\n0.549329 0.202518 0.542542 K\n0.549329 0.202518 0.957458 K\n0.950671 0.702518 0.042542 K\n0.049329 0.297482 0.542542 K\n0.450671 0.797482 0.457458 K\n0.220754 0.520297 0.250000 P\n0.279246 0.020297 0.750000 P\n0.720754 0.979702 0.250000 P\n0.779247 0.479702 0.750000 P\n0.333181 0.458922 0.086994 S\n0.166820 0.958922 0.913006 S\n0.166820 0.958922 0.586994 S\n0.333181 0.458922 0.413006 S\n0.666820 0.541078 0.913006 S\n0.833181 0.041078 0.086994 S\n0.487777 0.921172 0.750000 S\n0.012224 0.421172 0.250000 S\n0.512224 0.078828 0.250000 S\n0.302289 0.246155 0.750000 S\n0.197711 0.746155 0.250000 S\n0.802289 0.253845 0.750000 S\n0.697711 0.753845 0.250000 S\n0.666820 0.541078 0.586994 S\n0.987777 0.578827 0.750000 S\n0.833181 0.041078 0.413006 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"K",
"P",
"S"
],
"chemical_system": "K-P-S",
"density": 2.1516531621145885,
"density_atomic": 0.03748633684397173,
"volume": 853.6443593619898,
"volume_molar": 16.06489528455602,
"formula_full": "K12 P4 S16",
"formula_reduced": "K3PS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.9923886875,
"spacegroup": 62
},
{
"id": "jvasp-23636",
"created_at": "2022-09-04T14:37:38.804707Z",
"updated_at": "2022-09-04T14:37:38.804731Z",
"structure_string": "Sm20 Ga12\n1.0\n7.723154 -0.000000 0.000000\n-0.000000 7.723154 0.000000\n-0.000000 0.000000 14.312030\nSm Ga\n20 12\ndirect\n0.844597 0.814890 0.897584 Sm\n0.844597 0.185109 0.397584 Sm\n0.314891 0.344597 0.397584 Sm\n0.685109 0.655402 0.397584 Sm\n0.344597 0.314891 0.102416 Sm\n0.155403 0.814890 0.397584 Sm\n0.185109 0.844597 0.102416 Sm\n0.814890 0.155403 0.102416 Sm\n0.655402 0.314891 0.602416 Sm\n0.185109 0.155403 0.602416 Sm\n0.655402 0.685109 0.102416 Sm\n0.155403 0.185109 0.897584 Sm\n0.000000 0.500000 0.720017 Sm\n0.500000 0.000000 0.779983 Sm\n0.500000 0.000000 0.279983 Sm\n0.000000 0.500000 0.220017 Sm\n0.685109 0.344597 0.897584 Sm\n0.314891 0.655402 0.897584 Sm\n0.344597 0.685109 0.602416 Sm\n0.814890 0.844597 0.602416 Sm\n0.000000 0.500000 0.505798 Ga\n0.500000 0.000000 0.994202 Ga\n0.878464 0.878464 0.250000 Ga\n0.621535 0.378464 0.250000 Ga\n0.378464 0.621535 0.250000 Ga\n0.121535 0.878464 0.750000 Ga\n0.621535 0.621535 0.750000 Ga\n0.878464 0.121535 0.750000 Ga\n0.378464 0.378464 0.750000 Ga\n0.000000 0.500000 0.005798 Ga\n0.121535 0.121535 0.250000 Ga\n0.500000 0.000000 0.494202 Ga\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Sm",
"Ga"
],
"chemical_system": "Ga-Sm",
"density": 7.477007896136137,
"density_atomic": 0.0374851584429665,
"volume": 853.6711949260626,
"volume_molar": 16.06540030813171,
"formula_full": "Sm20 Ga12",
"formula_reduced": "Sm5Ga3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.9045194375,
"spacegroup": 130
},
{
"id": "jvasp-23132",
"created_at": "2022-09-04T14:37:42.137853Z",
"updated_at": "2022-09-04T14:37:42.137872Z",
"structure_string": "Nd8 Si4 Te4 O16\n1.0\n6.356893 -0.000000 0.000000\n0.000000 7.233075 0.000000\n0.000000 0.000000 11.270589\nNd Si Te O\n8 4 4 16\ndirect\n0.388895 0.750000 0.500000 Nd\n0.388895 0.750000 0.000000 Nd\n0.611105 0.250000 0.500000 Nd\n0.611105 0.250000 0.000000 Nd\n0.886525 0.962402 0.750000 Nd\n0.886525 0.537597 0.250000 Nd\n0.113475 0.462402 0.750000 Nd\n0.113475 0.037598 0.250000 Nd\n0.112680 0.250000 0.000000 Si\n0.887319 0.750000 0.000000 Si\n0.887319 0.750000 0.500000 Si\n0.112680 0.250000 0.500000 Si\n0.401486 0.076085 0.750000 Te\n0.401486 0.423915 0.250000 Te\n0.598514 0.576084 0.750000 Te\n0.598514 0.923915 0.250000 Te\n0.950716 0.268638 0.384536 O\n0.950716 0.231362 0.615465 O\n0.950716 0.231362 0.884536 O\n0.950716 0.268638 0.115465 O\n0.049284 0.768637 0.115465 O\n0.049284 0.768637 0.384536 O\n0.268428 0.076538 0.035802 O\n0.268428 0.423462 0.964199 O\n0.731572 0.923462 0.535802 O\n0.731572 0.923462 0.964199 O\n0.731572 0.576537 0.035802 O\n0.268428 0.423462 0.535802 O\n0.268428 0.076538 0.464198 O\n0.049284 0.731362 0.884536 O\n0.731572 0.576537 0.464198 O\n0.049284 0.731362 0.615465 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Nd",
"Si",
"Te",
"O"
],
"chemical_system": "Nd-O-Si-Te",
"density": 6.51330102715573,
"density_atomic": 0.0617497915332801,
"volume": 518.2203729830177,
"volume_molar": 9.75248759626073,
"formula_full": "Nd8 Si4 Te4 O16",
"formula_reduced": "Nd2SiTeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.086569170833333,
"spacegroup": 57
},
{
"id": "jvasp-24769",
"created_at": "2022-09-04T14:38:03.485224Z",
"updated_at": "2022-09-04T14:38:03.485248Z",
"structure_string": "Rb8 As8 Se16\n1.0\n9.269175 0.037429 -1.769985\n-0.781205 9.131123 -3.897980\n0.077229 -0.042560 12.607045\nRb As Se\n8 8 16\ndirect\n0.336614 0.279091 0.404782 Rb\n0.663385 0.720909 0.595217 Rb\n0.836614 0.125693 0.404782 Rb\n0.749999 0.977005 -0.000000 Rb\n0.250000 0.022994 -0.000000 Rb\n0.749999 0.533314 -0.000000 Rb\n0.250000 0.466686 -0.000000 Rb\n0.163386 0.874307 0.595217 Rb\n0.048736 0.507181 0.300990 As\n0.151552 0.814422 0.213696 As\n0.348447 0.600726 0.786303 As\n0.848447 0.185578 0.786303 As\n0.651552 0.399274 0.213696 As\n0.451264 0.206190 0.699009 As\n0.548735 0.793810 0.300990 As\n0.951264 0.492819 0.699009 As\n0.939583 0.968998 0.792071 Se\n0.957802 0.743439 0.296491 Se\n0.542196 0.446949 0.703508 Se\n0.042197 0.256560 0.703508 Se\n0.457803 0.553051 0.296491 Se\n0.991567 0.328914 0.108025 Se\n0.508432 0.220888 0.891974 Se\n0.008432 0.671086 0.891974 Se\n0.491567 0.779112 0.108025 Se\n0.652590 0.081375 0.606471 Se\n0.847409 0.474903 0.393528 Se\n0.060416 0.031002 0.207928 Se\n0.347409 0.918625 0.393528 Se\n0.439584 0.823073 0.792071 Se\n0.560416 0.176927 0.207928 Se\n0.152590 0.525097 0.606471 Se\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Rb",
"As",
"Se"
],
"chemical_system": "As-Rb-Se",
"density": 3.9628381077033623,
"density_atomic": 0.029989398870317797,
"volume": 1067.0437289649112,
"volume_molar": 20.0808985403187,
"formula_full": "Rb8 As8 Se16",
"formula_reduced": "RbAsSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8784971208333333,
"spacegroup": 15
},
{
"id": "jvasp-25776",
"created_at": "2022-09-04T14:37:36.937972Z",
"updated_at": "2022-09-04T14:37:36.937996Z",
"structure_string": "Li8 Al4 B4 O16\n1.0\n0.000000 6.289959 -0.051089\n5.077885 0.000000 0.000000\n0.000000 -1.044724 -10.259528\nLi Al B O\n8 4 4 16\ndirect\n0.773956 0.327173 0.926913 Li\n0.226045 0.827172 0.573088 Li\n0.773956 0.172827 0.426913 Li\n0.896208 0.361120 0.210603 Li\n0.103793 0.861119 0.289398 Li\n0.103793 0.638879 0.789398 Li\n0.896208 0.138880 0.710603 Li\n0.226045 0.672826 0.073088 Li\n0.501845 0.848552 0.842589 Al\n0.501845 0.651447 0.342589 Al\n0.498156 0.348552 0.657411 Al\n0.498155 0.151447 0.157411 Al\n0.799915 0.821406 0.059499 B\n0.799916 0.678592 0.559499 B\n0.200085 0.321407 0.440501 B\n0.200086 0.178593 0.940501 B\n0.949139 0.798459 0.641581 O\n0.601916 0.357150 0.284395 O\n0.050862 0.298460 0.858419 O\n0.398085 0.857149 0.215605 O\n0.398085 0.642849 0.715605 O\n0.698721 0.808688 0.451383 O\n0.262360 0.912971 0.921811 O\n0.050862 0.201540 0.358419 O\n0.949139 0.701539 0.141581 O\n0.301279 0.191311 0.548617 O\n0.737641 0.087028 0.078189 O\n0.262360 0.587027 0.421811 O\n0.698722 0.691310 0.951383 O\n0.737641 0.412972 0.578189 O\n0.301279 0.308689 0.048617 O\n0.601916 0.142850 0.784395 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-Li-O",
"density": 2.34272193643681,
"density_atomic": 0.09757372130154589,
"volume": 327.9571545816713,
"volume_molar": 6.171887962937198,
"formula_full": "Li8 Al4 B4 O16",
"formula_reduced": "Li2AlBO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.157153672916667,
"spacegroup": 14
},
{
"id": "jvasp-29471",
"created_at": "2022-09-04T14:37:52.241370Z",
"updated_at": "2022-09-04T14:37:52.241393Z",
"structure_string": "Ag4 Te4 N4 O20\n1.0\n5.373362 -0.000000 0.000000\n0.000000 5.569491 0.000000\n0.000000 0.000000 14.100129\nAg Te N O\n4 4 4 20\ndirect\n0.250000 0.500000 0.613787 Ag\n0.750000 0.500000 0.386213 Ag\n0.250000 0.000000 0.113787 Ag\n0.750000 0.000000 0.886213 Ag\n0.750000 0.000000 0.564055 Te\n0.250000 0.000000 0.435945 Te\n0.250000 0.500000 0.935945 Te\n0.750000 0.500000 0.064055 Te\n0.250000 0.500000 0.255472 N\n0.250000 0.000000 0.755472 N\n0.750000 0.500000 0.744528 N\n0.750000 0.000000 0.244528 N\n0.609168 0.355735 0.788473 O\n0.437225 0.207390 0.523015 O\n0.437225 0.292610 0.023015 O\n0.062774 0.792610 0.523015 O\n0.250000 0.000000 0.846330 O\n0.890831 0.644264 0.788473 O\n0.750000 0.000000 0.153670 O\n0.062774 0.707389 0.023015 O\n0.250000 0.500000 0.346330 O\n0.390831 0.644264 0.211527 O\n0.609168 0.144264 0.288473 O\n0.390831 0.855735 0.711527 O\n0.109169 0.355735 0.211527 O\n0.562774 0.707389 0.976985 O\n0.562774 0.792610 0.476985 O\n0.890831 0.855735 0.288473 O\n0.109169 0.144264 0.711527 O\n0.937225 0.292610 0.976985 O\n0.750000 0.500000 0.653670 O\n0.937225 0.207390 0.476985 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Ag",
"Te",
"N",
"O"
],
"chemical_system": "Ag-N-O-Te",
"density": 5.186122573226691,
"density_atomic": 0.07583423082909954,
"volume": 421.97302788123983,
"volume_molar": 7.941190533825722,
"formula_full": "Ag4 Te4 N4 O20",
"formula_reduced": "AgTeNO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.522920722083333,
"spacegroup": 60
},
{
"id": "jvasp-97858",
"created_at": "2022-09-04T14:37:41.215123Z",
"updated_at": "2022-09-04T14:37:41.215146Z",
"structure_string": "B4 N4 O8 F16\n1.0\n6.191948 0.000000 -1.479603\n0.000000 6.745389 0.000000\n0.200659 0.000000 9.055710\nB N O F\n4 4 8 16\ndirect\n0.258620 0.805326 0.502935 B\n0.258619 0.694675 0.002935 B\n0.741381 0.305326 0.997066 B\n0.741381 0.194675 0.497066 B\n0.239628 0.239883 0.242265 N\n0.239628 0.260117 0.742265 N\n0.760373 0.760117 0.757736 N\n0.760373 0.739883 0.257736 N\n0.658859 0.826108 0.834902 O\n0.341141 0.326107 0.665099 O\n0.137140 0.194448 0.818967 O\n0.137140 0.305552 0.318967 O\n0.862860 0.805552 0.181033 O\n0.341141 0.173893 0.165099 O\n0.658859 0.673893 0.334902 O\n0.862861 0.694449 0.681033 O\n0.555516 0.308556 0.439556 F\n0.083172 0.824929 0.954715 F\n0.444484 0.808556 0.060444 F\n0.785196 0.431423 0.882054 F\n0.916828 0.175071 0.045285 F\n0.444484 0.691444 0.560444 F\n0.290892 0.919223 0.378165 F\n0.214805 0.568577 0.117946 F\n0.083172 0.675071 0.454715 F\n0.709109 0.419223 0.121835 F\n0.555516 0.191444 0.939556 F\n0.214805 0.931423 0.617946 F\n0.785196 0.068577 0.382054 F\n0.709109 0.080777 0.621835 F\n0.290892 0.580778 0.878165 F\n0.916828 0.324929 0.545285 F\n",
"nsites": 32,
"nelements": 4,
"elements": [
"B",
"N",
"O",
"F"
],
"chemical_system": "B-F-N-O",
"density": 2.320010593024359,
"density_atomic": 0.08415883439088225,
"volume": 380.2334030836681,
"volume_molar": 7.155684609448961,
"formula_full": "B4 N4 O8 F16",
"formula_reduced": "BN(OF2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.7987479954166663,
"spacegroup": 14
},
{
"id": "jvasp-27230",
"created_at": "2022-09-04T14:38:34.249500Z",
"updated_at": "2022-09-04T14:38:34.249526Z",
"structure_string": "Y4 Al4 Ge4 O20\n1.0\n5.667750 0.000000 0.000000\n0.000000 7.289390 0.000000\n0.000000 -0.000000 8.401224\nY Al Ge O\n4 4 4 20\ndirect\n0.000000 0.358161 0.326422 Y\n0.000000 0.641839 0.673578 Y\n0.000000 0.858161 0.173578 Y\n0.000000 0.141839 0.826422 Y\n0.249037 0.500000 0.000000 Al\n0.750963 0.000000 0.500000 Al\n0.750963 0.500000 0.000000 Al\n0.249037 0.000000 0.500000 Al\n0.500000 0.380126 0.645121 Ge\n0.500000 0.619874 0.354878 Ge\n0.500000 0.119874 0.145122 Ge\n0.500000 0.880126 0.854878 Ge\n0.747919 0.606623 0.211762 O\n0.715706 0.500000 0.500000 O\n0.284294 0.000000 0.000000 O\n0.252081 0.606623 0.211762 O\n0.252081 0.393377 0.788238 O\n0.747919 0.106623 0.288238 O\n0.747919 0.893377 0.711761 O\n0.747919 0.393377 0.788238 O\n0.252081 0.893377 0.711761 O\n0.000000 0.161941 0.553882 O\n0.500000 0.152555 0.569687 O\n0.500000 0.847445 0.430313 O\n0.500000 0.652555 0.930313 O\n0.500000 0.347445 0.069687 O\n0.715706 0.000000 0.000000 O\n0.000000 0.838059 0.446118 O\n0.000000 0.661941 0.946117 O\n0.000000 0.338059 0.053882 O\n0.252081 0.106623 0.288238 O\n0.284294 0.500000 0.500000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Y",
"Al",
"Ge",
"O"
],
"chemical_system": "Al-Ge-O-Y",
"density": 5.1386423119375975,
"density_atomic": 0.09219461216112176,
"volume": 347.0918663237711,
"volume_molar": 6.531987736415167,
"formula_full": "Y4 Al4 Ge4 O20",
"formula_reduced": "YAlGeO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.1666627125,
"spacegroup": 55
},
{
"id": "jvasp-20823",
"created_at": "2022-09-04T14:38:34.048027Z",
"updated_at": "2022-09-04T14:38:34.048038Z",
"structure_string": "Co8 Ge12 S12\n1.0\n8.078237 0.001651 0.001651\n0.001651 8.078237 0.001651\n0.001651 0.001651 8.078237\nCo Ge S\n8 12 12\ndirect\n0.253333 0.258107 0.756359 Co\n0.745419 0.740644 0.242391 Co\n0.258107 0.756359 0.253333 Co\n0.740644 0.242391 0.745419 Co\n0.756359 0.253333 0.258107 Co\n0.754881 0.754881 0.754881 Co\n0.242391 0.745419 0.740644 Co\n0.243871 0.243871 0.243871 Co\n0.649256 0.831298 0.497355 Ge\n0.000231 0.149644 0.666862 Ge\n0.849102 0.331883 0.998518 Ge\n0.149644 0.666862 0.000231 Ge\n0.831298 0.497355 0.649256 Ge\n0.497355 0.649256 0.831298 Ge\n0.349496 0.167449 0.501398 Ge\n0.501398 0.349496 0.167449 Ge\n0.167449 0.501398 0.349496 Ge\n0.666862 0.000231 0.149644 Ge\n0.331883 0.998518 0.849102 Ge\n0.998518 0.849102 0.331883 Ge\n0.002908 0.147069 0.344967 S\n0.154001 0.498527 0.647587 S\n0.844747 0.500224 0.351167 S\n0.647587 0.154001 0.498527 S\n0.498527 0.647587 0.154001 S\n0.147069 0.344967 0.002908 S\n0.995844 0.851682 0.653783 S\n0.500224 0.351167 0.844747 S\n0.653783 0.995844 0.851682 S\n0.351167 0.844747 0.500224 S\n0.851682 0.653783 0.995844 S\n0.344967 0.002908 0.147069 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Co",
"Ge",
"S"
],
"chemical_system": "Co-Ge-S",
"density": 5.44282548482335,
"density_atomic": 0.0607016171933678,
"volume": 527.1688215169379,
"volume_molar": 9.92089014830724,
"formula_full": "Co8 Ge12 S12",
"formula_reduced": "Co2(GeS)3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 2.07490995625,
"spacegroup": 148
}
]
}