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=4071",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4069",
"results": [
{
"id": "jvasp-59071",
"created_at": "2022-09-04T14:37:01.710984Z",
"updated_at": "2022-09-04T14:37:01.711004Z",
"structure_string": "Rb12 B4 S12\n1.0\n0.000000 10.113782 -0.034226\n6.372116 0.000000 0.000000\n0.000000 -3.068053 -12.696385\nRb B S\n12 4 12\ndirect\n0.400100 0.061030 0.299490 Rb\n0.599900 0.561030 0.200510 Rb\n0.599900 0.938971 0.700510 Rb\n0.400100 0.438971 0.799490 Rb\n0.035145 0.221779 0.358920 Rb\n0.964855 0.721779 0.141080 Rb\n0.964855 0.778222 0.641080 Rb\n0.035146 0.278221 0.858919 Rb\n0.260020 0.848744 0.992203 Rb\n0.739980 0.348744 0.507797 Rb\n0.739980 0.151257 0.007797 Rb\n0.260020 0.651257 0.492203 Rb\n0.233537 0.120471 0.627267 B\n0.766463 0.620472 0.872732 B\n0.766463 0.879529 0.372733 B\n0.233537 0.379529 0.127268 B\n0.341236 0.344035 0.033213 S\n0.658764 0.844035 0.466787 S\n0.658764 0.655965 0.966787 S\n0.341236 0.155965 0.533213 S\n0.082688 0.214439 0.118368 S\n0.917312 0.714439 0.381632 S\n0.917312 0.785562 0.881632 S\n0.082688 0.285562 0.618368 S\n0.282824 0.573632 0.234166 S\n0.717176 0.073632 0.265834 S\n0.717177 0.426369 0.765834 S\n0.282824 0.926369 0.734166 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"B",
"S"
],
"chemical_system": "B-Rb-S",
"density": 2.9476295216994814,
"density_atomic": 0.03419209279093522,
"volume": 818.902784664388,
"volume_molar": 17.61267085001755,
"formula_full": "Rb12 B4 S12",
"formula_reduced": "Rb3BS3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.031447511904762,
"spacegroup": 14
},
{
"id": "jvasp-50118",
"created_at": "2022-09-04T14:37:02.026205Z",
"updated_at": "2022-09-04T14:37:02.026225Z",
"structure_string": "Sm8 Se8 O4\n1.0\n0.000000 7.248014 0.021985\n7.224709 0.000000 0.000000\n0.000000 -1.534455 -8.596650\nSm Se O\n8 8 4\ndirect\n0.247733 0.448266 0.857176 Sm\n0.747733 0.051734 0.857176 Sm\n0.328828 0.849623 0.573142 Sm\n0.828828 0.650377 0.573142 Sm\n0.171171 0.349623 0.426858 Sm\n0.671171 0.150377 0.426859 Sm\n0.252266 0.948266 0.142825 Sm\n0.752266 0.551735 0.142825 Sm\n0.529754 0.220495 0.077260 Se\n0.029754 0.279505 0.077260 Se\n0.925151 0.875037 0.317369 Se\n0.425151 0.624963 0.317369 Se\n0.970245 0.720495 0.922741 Se\n0.074848 0.124963 0.682632 Se\n0.470245 0.779505 0.922740 Se\n0.574848 0.375037 0.682632 Se\n0.350003 0.085018 0.386383 O\n0.149996 0.585018 0.613617 O\n0.649995 0.914982 0.613617 O\n0.850003 0.414982 0.386384 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sm",
"Se",
"O"
],
"chemical_system": "O-Se-Sm",
"density": 7.007118231324547,
"density_atomic": 0.04445253841714504,
"volume": 449.91806344823124,
"volume_molar": 13.547349542759298,
"formula_full": "Sm8 Se8 O4",
"formula_reduced": "Sm2Se2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.2365575966666662,
"spacegroup": 14
},
{
"id": "jvasp-50026",
"created_at": "2022-09-04T14:37:02.136210Z",
"updated_at": "2022-09-04T14:37:02.136224Z",
"structure_string": "Al8 O12\n1.0\n0.000000 3.187565 -0.020460\n12.127537 0.000000 0.000000\n0.000000 -1.444322 -5.055851\nAl O\n8 12\ndirect\n0.580900 0.166030 0.158352 Al\n0.819928 0.433218 0.179000 Al\n0.180073 0.933218 0.321000 Al\n0.419102 0.666030 0.341648 Al\n0.580900 0.333970 0.658351 Al\n0.819929 0.066782 0.679000 Al\n0.180074 0.566782 0.820999 Al\n0.419102 0.833970 0.841648 Al\n0.327123 -0.007790 0.690151 O\n0.672879 0.492210 0.809848 O\n0.018803 0.373663 0.506591 O\n0.596545 0.194292 0.505610 O\n0.403457 0.805708 0.494390 O\n0.596545 0.305708 0.005610 O\n0.327123 0.507790 0.190151 O\n0.672879 0.007790 0.309848 O\n0.403457 0.694293 0.994389 O\n0.018802 0.126337 0.006591 O\n0.981199 0.626337 0.493408 O\n0.981200 0.873663 0.993408 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 3.4587790260896774,
"density_atomic": 0.10214296413327931,
"volume": 195.80399070760646,
"volume_molar": 5.89579596705469,
"formula_full": "Al8 O12",
"formula_reduced": "Al2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.61323522,
"spacegroup": 14
},
{
"id": "jvasp-58988",
"created_at": "2022-09-04T14:37:02.248865Z",
"updated_at": "2022-09-04T14:37:02.248886Z",
"structure_string": "Na12 B4 P8\n1.0\n0.000000 6.968923 0.005450\n9.235015 0.000000 0.000000\n0.000000 -3.259183 -8.516702\nNa B P\n12 4 8\ndirect\n0.736906 0.285341 0.818028 Na\n0.757675 0.932285 0.023460 Na\n0.263094 0.714659 0.181972 Na\n0.736906 0.214659 0.318028 Na\n0.778271 0.524139 0.110395 Na\n0.221729 0.024140 0.389605 Na\n0.263094 0.785341 0.681971 Na\n0.778271 0.975860 0.610395 Na\n0.757675 0.567714 0.523460 Na\n0.242325 0.432286 0.476540 Na\n0.242325 0.067714 0.976540 Na\n0.221729 0.475860 0.889605 Na\n0.225490 0.327596 0.182036 B\n0.774510 0.827595 0.317964 B\n0.225490 0.172404 0.682036 B\n0.774510 0.672404 0.817964 B\n0.002923 0.722317 0.364336 P\n0.447267 0.439674 0.231730 P\n0.552733 0.939674 0.268270 P\n0.552733 0.560326 0.768270 P\n0.447267 0.060326 0.731729 P\n0.997077 0.277682 0.635664 P\n0.002923 0.777682 0.864336 P\n0.997077 0.222317 0.135664 P\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"B",
"P"
],
"chemical_system": "B-Na-P",
"density": 1.7179855302015155,
"density_atomic": 0.04379923359769685,
"volume": 547.9547934661126,
"volume_molar": 13.749420401540243,
"formula_full": "Na12 B4 P8",
"formula_reduced": "Na3BP2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4644450972222225,
"spacegroup": 14
},
{
"id": "jvasp-95163",
"created_at": "2022-09-04T14:35:40.727108Z",
"updated_at": "2022-09-04T14:35:40.727139Z",
"structure_string": "Rb16 Fe4 O14\n1.0\n6.883852 0.013755 0.000000\n-3.390292 6.104464 0.000000\n0.000000 0.000000 17.472594\nRb Fe O\n16 4 14\ndirect\n0.454380 0.244549 0.287582 Rb\n0.045620 0.755450 0.787582 Rb\n0.952695 0.215410 0.809646 Rb\n0.495298 0.641770 0.080648 Rb\n0.542536 0.772416 0.505095 Rb\n0.042536 0.772417 0.994905 Rb\n0.504701 0.358228 0.919351 Rb\n0.957463 0.227582 0.005095 Rb\n0.047304 0.784589 0.190354 Rb\n0.457463 0.227582 0.494905 Rb\n0.452695 0.215410 0.690354 Rb\n0.004702 0.358229 0.580648 Rb\n0.547304 0.784588 0.309646 Rb\n0.545620 0.755449 0.712417 Rb\n0.954380 0.244549 0.212417 Rb\n0.995298 0.641770 0.419351 Rb\n0.502077 0.146428 0.097486 Fe\n0.002077 0.146428 0.402514 Fe\n0.497922 0.853571 0.902514 Fe\n0.997922 0.853571 0.597486 Fe\n0.000000 0.000000 0.500000 O\n0.992620 0.037730 0.676853 O\n0.739268 0.575871 0.600309 O\n0.760731 0.424127 0.100309 O\n0.239268 0.575871 0.899691 O\n0.492621 0.037731 0.823146 O\n0.260336 0.829543 0.606262 O\n0.239663 0.170456 0.106262 O\n0.260731 0.424128 0.399691 O\n0.500000 -0.000000 0.000000 O\n0.739663 0.170456 0.393738 O\n0.007379 0.962268 0.323147 O\n0.507379 0.962268 0.176853 O\n0.760336 0.829542 0.893738 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Rb",
"Fe",
"O"
],
"chemical_system": "Fe-O-Rb",
"density": 4.099899714692241,
"density_atomic": 0.04625522374871969,
"volume": 735.052113999148,
"volume_molar": 13.01937440128952,
"formula_full": "Rb16 Fe4 O14",
"formula_reduced": "Rb8Fe2O7",
"formula_anonymous": "A2B7C8",
"energy_above_hull": 1.1123756176470585,
"spacegroup": 14
},
{
"id": "jvasp-98225",
"created_at": "2022-09-04T14:35:40.760580Z",
"updated_at": "2022-09-04T14:35:40.760608Z",
"structure_string": "K16 Bi16\n1.0\n7.296352 0.000000 0.000000\n0.000000 12.357042 -5.284559\n0.000000 -0.038759 14.224638\nK Bi\n16 16\ndirect\n0.125438 0.557464 0.844917 K\n0.633868 0.359678 0.885334 K\n0.866131 0.859678 0.885334 K\n0.366131 0.640322 0.114666 K\n0.296066 0.039071 0.397361 K\n0.796066 0.460929 0.602639 K\n0.703934 0.960929 0.602639 K\n0.203934 0.539071 0.397360 K\n0.133868 0.140322 0.114666 K\n0.568666 0.307267 0.345421 K\n0.931333 0.807267 0.345421 K\n0.431333 0.692733 0.654579 K\n0.374561 0.057464 0.844917 K\n0.874561 0.442536 0.155083 K\n0.625438 0.942536 0.155083 K\n0.068666 0.192733 0.654579 K\n0.353570 0.822631 0.925982 Bi\n0.853570 0.677368 0.074017 Bi\n0.386377 0.371659 0.116599 Bi\n0.886377 0.128341 0.883402 Bi\n0.613623 0.628341 0.883401 Bi\n0.113623 0.871659 0.116598 Bi\n0.060897 0.271849 0.386988 Bi\n0.439103 0.771849 0.386988 Bi\n0.939103 0.728151 0.613012 Bi\n0.291310 0.391448 0.580017 Bi\n0.791309 0.108551 0.419983 Bi\n0.708690 0.608551 0.419983 Bi\n0.208690 0.891448 0.580017 Bi\n0.146429 0.322632 0.925983 Bi\n0.560897 0.228151 0.613012 Bi\n0.646429 0.177368 0.074017 Bi\n",
"nsites": 32,
"nelements": 2,
"elements": [
"K",
"Bi"
],
"chemical_system": "Bi-K",
"density": 5.145213476017026,
"density_atomic": 0.024980137193182036,
"volume": 1281.0177843512379,
"volume_molar": 24.107716916957752,
"formula_full": "K16 Bi16",
"formula_reduced": "KBi",
"formula_anonymous": "AB",
"energy_above_hull": 0.1602747666666666,
"spacegroup": 14
},
{
"id": "jvasp-5518",
"created_at": "2022-09-04T14:35:40.766734Z",
"updated_at": "2022-09-04T14:35:40.766748Z",
"structure_string": "P12 Se16 I4\n1.0\n0.000000 11.302487 0.048383\n6.515072 0.000000 0.000000\n0.000000 -6.566263 -12.703941\nP Se I\n12 16 4\ndirect\n0.828168 0.148520 0.868790 P\n0.709737 0.274739 0.548619 P\n0.290264 0.774739 0.951381 P\n0.709737 0.225261 0.048619 P\n0.670379 0.606872 0.508970 P\n0.329622 0.106873 0.991030 P\n0.290264 0.725261 0.451381 P\n0.670379 0.893127 0.008970 P\n0.828168 0.351480 0.368790 P\n0.171833 0.851480 0.131210 P\n0.171833 0.648519 0.631210 P\n0.329621 0.393127 0.491030 P\n0.463171 0.827645 0.609564 Se\n0.638503 0.174197 0.272631 Se\n0.361497 0.674196 0.227369 Se\n0.361498 0.825803 0.727369 Se\n0.638503 0.325803 0.772631 Se\n0.536829 0.172354 0.390436 Se\n0.463171 0.672354 0.109564 Se\n0.536830 0.327646 0.890436 Se\n0.897420 0.207989 0.532999 Se\n0.253608 0.165759 0.111399 Se\n0.253608 0.334241 0.611399 Se\n0.746393 0.834241 0.888602 Se\n0.102581 0.707989 0.967001 Se\n0.102581 0.792010 0.467001 Se\n0.897419 0.292010 0.032999 Se\n0.746392 0.665758 0.388602 Se\n0.142714 0.236403 0.815055 I\n0.857287 0.763597 0.184945 I\n0.142714 0.263597 0.315055 I\n0.857287 0.736402 0.684945 I\n",
"nsites": 32,
"nelements": 3,
"elements": [
"P",
"Se",
"I"
],
"chemical_system": "I-P-Se",
"density": 3.8118275414414233,
"density_atomic": 0.03428311294229959,
"volume": 933.404153055115,
"volume_molar": 17.565909986457772,
"formula_full": "P12 Se16 I4",
"formula_reduced": "P3Se4I",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.0594082802083333,
"spacegroup": 14
},
{
"id": "jvasp-97427",
"created_at": "2022-09-04T14:35:40.820307Z",
"updated_at": "2022-09-04T14:35:40.820332Z",
"structure_string": "K20 Li4 Ge8 O28\n1.0\n6.243568 0.018221 0.000000\n-2.705697 9.967396 0.000000\n0.000000 0.000000 15.875680\nK Li Ge O\n20 4 8 28\ndirect\n0.829648 0.582122 0.433126 K\n0.170662 0.388567 0.155473 K\n0.495714 0.264159 0.870436 K\n0.788818 0.090304 0.165600 K\n0.995714 0.764159 0.629564 K\n0.829338 0.611434 0.844527 K\n0.504286 0.735842 0.129564 K\n0.329338 0.111434 0.655473 K\n0.820845 0.078700 0.556827 K\n0.670662 0.888567 0.344527 K\n0.004286 0.235841 0.370436 K\n0.320844 0.578701 0.943173 K\n0.288818 0.590304 0.334400 K\n0.711182 0.409696 0.665600 K\n0.329648 0.082122 0.066874 K\n0.179155 0.921300 0.443173 K\n0.211181 0.909696 0.834400 K\n0.679156 0.421300 0.056827 K\n0.670352 0.917878 0.933126 K\n0.170352 0.417878 0.566874 K\n0.399964 0.104867 0.279609 Li\n0.100036 0.395133 0.779609 Li\n0.899964 0.604867 0.220391 Li\n0.600036 0.895133 0.720391 Li\n0.616318 0.388724 0.265658 Ge\n0.383682 0.611276 0.734342 Ge\n0.508720 0.244610 0.446793 Ge\n0.116318 0.888724 0.234342 Ge\n0.883682 0.111276 0.765658 Ge\n0.491280 0.755390 0.553207 Ge\n0.008719 0.744610 0.053207 Ge\n0.991281 0.255390 0.946793 Ge\n0.438338 0.889646 0.612689 O\n0.561662 0.110355 0.387311 O\n0.593345 0.070474 0.783183 O\n0.739432 0.325830 0.509126 O\n0.239432 0.825831 0.990874 O\n0.464703 0.370984 0.367691 O\n0.435332 0.466210 0.782053 O\n0.760568 0.174170 0.009126 O\n0.490104 0.752195 0.798534 O\n0.035297 0.129016 0.867691 O\n0.964703 0.870984 0.132309 O\n0.245493 0.307232 0.002288 O\n0.938338 0.389645 0.887311 O\n0.406655 0.929526 0.216817 O\n0.564668 0.533790 0.217947 O\n0.745493 0.807232 0.497712 O\n0.254507 0.192768 0.502288 O\n0.509896 0.247805 0.201466 O\n0.009895 0.747805 0.298534 O\n0.906655 0.429526 0.283183 O\n0.093345 0.570474 0.716817 O\n0.935331 0.966210 0.717947 O\n0.990104 0.252195 0.701466 O\n0.061662 0.610355 0.112689 O\n0.754507 0.692768 0.997712 O\n0.064668 0.033790 0.282053 O\n0.535297 0.629016 0.632309 O\n0.260568 0.674170 0.490874 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"K",
"Li",
"Ge",
"O"
],
"chemical_system": "Ge-K-Li-O",
"density": 3.08816591282555,
"density_atomic": 0.06068207760343746,
"volume": 988.7598178840399,
"volume_molar": 9.924084668549424,
"formula_full": "K20 Li4 Ge8 O28",
"formula_reduced": "K5LiGe2O7",
"formula_anonymous": "AB2C5D7",
"energy_above_hull": 1.0728964266666663,
"spacegroup": 14
},
{
"id": "jvasp-91466",
"created_at": "2022-09-04T14:35:40.864678Z",
"updated_at": "2022-09-04T14:35:40.864696Z",
"structure_string": "Ca12 Mg4 Si8 O32\n1.0\n5.251207 0.000000 0.000000\n0.000000 9.809759 -0.851918\n0.000000 -0.718858 13.625787\nCa Mg Si O\n12 4 8 32\ndirect\n0.258416 0.068840 0.407284 Ca\n0.748156 0.263258 0.022330 Ca\n0.248156 0.736742 0.477670 Ca\n0.729331 0.521370 0.376459 Ca\n0.241585 0.068840 0.907284 Ca\n0.758416 0.931160 0.092716 Ca\n0.741585 0.931160 0.592716 Ca\n0.770670 0.521370 0.876459 Ca\n0.229330 0.478630 0.123541 Ca\n0.270670 0.478630 0.623541 Ca\n0.251845 0.736742 0.977670 Ca\n0.751845 0.263258 0.522331 Ca\n0.739500 0.162019 0.788009 Mg\n0.760501 0.162019 0.288009 Mg\n0.260501 0.837981 0.211991 Mg\n0.239499 0.837981 0.711991 Mg\n0.232325 0.371967 0.861012 Si\n0.283880 0.112384 0.136873 Si\n0.267675 0.371967 0.361012 Si\n0.767676 0.628033 0.138988 Si\n0.216120 0.112384 0.636873 Si\n0.716120 0.887615 0.863127 Si\n0.732325 0.628033 0.638988 Si\n0.783881 0.887615 0.363127 Si\n0.515548 0.744525 0.618455 O\n0.264797 0.506424 0.448613 O\n0.605931 0.929412 0.271734 O\n0.394069 0.070588 0.728266 O\n0.088945 0.850538 0.342758 O\n0.411055 0.850538 0.842758 O\n0.764797 0.493576 0.051387 O\n0.786738 0.038563 0.438243 O\n0.015910 0.698368 0.633025 O\n0.668109 0.771448 0.426101 O\n0.121543 0.429306 0.763833 O\n0.984453 0.744525 0.118455 O\n0.894069 0.929411 0.771734 O\n0.878457 0.570694 0.236168 O\n0.286737 0.961437 0.061757 O\n0.621544 0.570694 0.736168 O\n0.911056 0.149462 0.657242 O\n0.713263 0.038563 0.938243 O\n0.105931 0.070588 0.228266 O\n0.168110 0.228552 0.073899 O\n0.235203 0.506424 0.948613 O\n0.015548 0.255475 0.881545 O\n0.515911 0.301632 0.866976 O\n0.213263 0.961437 0.561757 O\n0.484453 0.255475 0.381545 O\n0.378457 0.429306 0.263833 O\n0.735204 0.493576 0.551387 O\n0.831892 0.771448 0.926101 O\n0.588945 0.149462 0.157242 O\n0.984090 0.301632 0.366975 O\n0.484090 0.698368 0.133025 O\n0.331891 0.228552 0.573899 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Ca",
"Mg",
"Si",
"O"
],
"chemical_system": "Ca-Mg-O-Si",
"density": 3.1248627315245696,
"density_atomic": 0.08014995967204408,
"volume": 698.6903078821202,
"volume_molar": 7.513591753060475,
"formula_full": "Ca12 Mg4 Si8 O32",
"formula_reduced": "Ca3Mg(SiO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.8397368221428576,
"spacegroup": 14
},
{
"id": "jvasp-98873",
"created_at": "2022-09-04T14:35:40.992739Z",
"updated_at": "2022-09-04T14:35:40.992754Z",
"structure_string": "Fe4 Te4 S8 N8 Cl20\n1.0\n7.308607 0.000000 -0.946326\n0.000000 12.148112 0.000000\n-0.003109 0.000000 12.377628\nFe Te S N Cl\n4 4 8 8 20\ndirect\n0.727501 0.857004 0.461605 Fe\n0.272500 0.357004 0.038395 Fe\n0.272500 0.142996 0.538395 Fe\n0.727500 0.642995 0.961605 Fe\n0.135034 0.939738 0.261077 Te\n0.864966 0.439738 0.238923 Te\n0.864966 0.060262 0.738923 Te\n0.135034 0.560262 0.761077 Te\n0.378838 0.018712 0.158175 S\n0.705945 0.196730 0.914800 S\n0.705945 0.303269 0.414800 S\n0.621163 0.518712 0.341825 S\n0.294055 0.696730 0.585200 S\n0.378838 0.481288 0.658175 S\n0.621162 0.981288 0.841825 S\n0.294055 0.803269 0.085200 S\n0.596677 0.085985 0.920593 N\n0.156478 0.694342 0.671697 N\n0.156478 0.805658 0.171697 N\n0.843522 0.194342 0.828303 N\n0.843522 0.305658 0.328303 N\n0.403323 0.585985 0.579407 N\n0.403323 0.914015 0.079407 N\n0.596677 0.414015 0.420593 N\n0.266300 0.328468 0.861165 Cl\n0.862006 0.496610 0.648960 Cl\n0.467352 0.796574 0.372536 Cl\n0.945433 0.762529 0.396834 Cl\n0.733700 0.828468 0.638835 Cl\n0.236859 0.968362 0.570570 Cl\n0.763141 0.468362 0.929430 Cl\n0.945433 0.737471 0.896834 Cl\n0.236860 0.531638 0.070570 Cl\n0.763141 0.031638 0.429430 Cl\n0.733701 0.671531 0.138835 Cl\n0.137994 0.503390 0.351040 Cl\n0.862006 0.003390 0.148960 Cl\n0.266300 0.171532 0.361165 Cl\n0.054568 0.262529 0.103165 Cl\n0.054568 0.237471 0.603165 Cl\n0.137994 0.996610 0.851040 Cl\n0.532649 0.203426 0.627463 Cl\n0.467352 0.703426 0.872537 Cl\n0.532649 0.296574 0.127463 Cl\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Fe",
"Te",
"S",
"N",
"Cl"
],
"chemical_system": "Cl-Fe-N-S-Te",
"density": 2.7371589828034075,
"density_atomic": 0.040039254096139267,
"volume": 1098.9215706753798,
"volume_molar": 15.040591779107784,
"formula_full": "Fe4 Te4 S8 N8 Cl20",
"formula_reduced": "FeTeS2N2Cl5",
"formula_anonymous": "ABC2D2E5",
"energy_above_hull": 2.0605109185606065,
"spacegroup": 14
},
{
"id": "jvasp-88384",
"created_at": "2022-09-04T14:35:41.103847Z",
"updated_at": "2022-09-04T14:35:41.103869Z",
"structure_string": "Sr4 Cu2 B4 O12\n1.0\n5.745845 0.035527 0.000000\n-2.720119 5.370853 0.000000\n0.000000 0.000000 8.890350\nSr Cu B O\n4 2 4 12\ndirect\n0.672647 0.337985 0.895726 Sr\n0.327352 0.662015 0.104274 Sr\n0.672647 0.837984 0.604274 Sr\n0.327352 0.162016 0.395726 Sr\n0.000000 0.000000 0.000000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.801141 0.160790 0.247982 B\n0.198858 0.339210 0.747982 B\n0.801141 0.660790 0.252018 B\n0.198858 0.839210 0.752018 B\n0.413411 0.883549 0.836564 O\n0.586588 0.116451 0.163436 O\n0.586588 0.616451 0.336564 O\n0.035115 0.188009 0.186832 O\n0.791664 0.678934 0.094292 O\n0.791664 0.178934 0.405708 O\n0.208335 0.321066 0.905708 O\n0.964884 0.811992 0.813168 O\n0.035115 0.688008 0.313168 O\n0.964884 0.311992 0.686832 O\n0.413411 0.383549 0.663436 O\n0.208335 0.821066 0.594292 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"B",
"O"
],
"chemical_system": "B-Cu-O-Sr",
"density": 4.300790232484583,
"density_atomic": 0.0799371741342877,
"volume": 275.21613364818046,
"volume_molar": 7.533592255692341,
"formula_full": "Sr4 Cu2 B4 O12",
"formula_reduced": "Sr2Cu(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.1687490215151515,
"spacegroup": 14
},
{
"id": "jvasp-97695",
"created_at": "2022-09-04T14:35:41.336159Z",
"updated_at": "2022-09-04T14:35:41.336189Z",
"structure_string": "Na16 Ga8 S20\n1.0\n6.119590 0.000000 0.000000\n0.000000 7.973350 -0.171673\n0.000000 0.130092 19.845091\nNa Ga S\n16 8 20\ndirect\n0.743278 0.923083 0.956460 Na\n0.996037 0.114220 0.199732 Na\n0.496037 0.885780 0.300268 Na\n0.003963 0.885780 0.800268 Na\n0.503963 0.114220 0.699732 Na\n0.026223 0.656567 0.215701 Na\n0.973777 0.343432 0.784299 Na\n0.473777 0.656567 0.715701 Na\n0.526223 0.343432 0.284299 Na\n0.540068 0.404060 0.102953 Na\n0.959932 0.404060 0.602953 Na\n0.459932 0.595939 0.897047 Na\n0.756722 0.923083 0.456460 Na\n0.256722 0.076917 0.043541 Na\n0.243278 0.076917 0.543541 Na\n0.040068 0.595940 0.397047 Na\n0.913073 0.344879 0.963735 Ga\n0.933470 0.835057 0.635094 Ga\n0.566530 0.835057 0.135094 Ga\n0.066530 0.164943 0.364906 Ga\n0.413073 0.655121 0.536265 Ga\n0.086927 0.655121 0.036265 Ga\n0.586927 0.344879 0.463735 Ga\n0.433470 0.164943 0.864906 Ga\n0.488570 0.370401 0.791576 S\n0.522745 0.611834 0.424048 S\n0.977255 0.611833 0.924048 S\n0.477255 0.388166 0.575952 S\n0.011430 0.370401 0.291576 S\n0.511430 0.629599 0.208425 S\n0.975695 0.905756 0.326255 S\n0.475695 0.094243 0.173745 S\n0.022745 0.388166 0.075952 S\n0.024305 0.094243 0.673745 S\n0.940609 0.258846 0.470975 S\n0.440609 0.741154 0.029025 S\n0.059391 0.741154 0.529025 S\n0.559391 0.258846 0.970975 S\n0.931325 0.869093 0.097507 S\n0.431325 0.130907 0.402493 S\n0.068676 0.130907 0.902493 S\n0.568676 0.869093 0.597507 S\n0.524305 0.905756 0.826255 S\n0.988570 0.629599 0.708425 S\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Na",
"Ga",
"S"
],
"chemical_system": "Ga-Na-S",
"density": 2.686695601046245,
"density_atomic": 0.04543338906894579,
"volume": 968.4507561879083,
"volume_molar": 13.254879029300056,
"formula_full": "Na16 Ga8 S20",
"formula_reduced": "Na4Ga2S5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 0.5311164227272729,
"spacegroup": 14
}
]
}