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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4371",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4369",
"results": [
{
"id": "jvasp-99725",
"created_at": "2022-09-04T14:36:31.658294Z",
"updated_at": "2022-09-04T14:36:31.658317Z",
"structure_string": "Rb2 Tl1 Ga1 I6\n1.0\n7.383118 -0.000000 4.262645\n2.461040 6.960870 4.262645\n0.000000 0.000000 8.525290\nRb Tl Ga I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.766953 0.233047 0.233047 I\n0.233047 0.233047 0.766953 I\n0.233047 0.766953 0.766954 I\n0.233047 0.766953 0.233047 I\n0.766953 0.233047 0.766954 I\n0.766954 0.766953 0.233047 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"Ga",
"I"
],
"chemical_system": "Ga-I-Rb-Tl",
"density": 4.5724890097720925,
"density_atomic": 0.022823776525193684,
"volume": 438.13958610055835,
"volume_molar": 26.38538260025702,
"formula_full": "Rb2 Tl1 Ga1 I6",
"formula_reduced": "Rb2TlGaI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100122",
"created_at": "2022-09-04T14:36:17.893239Z",
"updated_at": "2022-09-04T14:36:17.893258Z",
"structure_string": "K2 Rb1 Nd1 Br6\n1.0\n7.383127 -0.000000 4.262651\n2.461043 6.960880 4.262651\n-0.000000 -0.000000 8.525301\nK Rb Nd Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Nd\n0.762806 0.237194 0.237194 Br\n0.237194 0.237194 0.762806 Br\n0.237194 0.762806 0.762806 Br\n0.237194 0.762806 0.237194 Br\n0.762806 0.237194 0.762806 Br\n0.762806 0.762806 0.237194 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Nd",
"Br"
],
"chemical_system": "Br-K-Nd-Rb",
"density": 2.9839525352147223,
"density_atomic": 0.022823686465595495,
"volume": 438.14131494813665,
"volume_molar": 26.38548671389171,
"formula_full": "K2 Rb1 Nd1 Br6",
"formula_reduced": "K2RbNdBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-89538",
"created_at": "2022-09-04T14:36:02.030186Z",
"updated_at": "2022-09-04T14:36:02.030214Z",
"structure_string": "Hg2 H16 C4 Br6 N2\n1.0\n6.400658 0.000000 0.000000\n0.000000 6.729570 -0.780066\n0.000000 0.073447 10.163604\nHg H C Br N\n2 16 4 6 2\ndirect\n0.750000 0.570962 0.138210 Hg\n0.250000 0.429039 0.861789 Hg\n0.616984 0.979128 0.826122 H\n0.889523 0.155558 0.610161 H\n0.116984 0.020872 0.173877 H\n0.610477 0.155558 0.610161 H\n0.250000 0.232933 0.170780 H\n0.611076 0.780584 0.612687 H\n0.388925 0.219416 0.387312 H\n0.250000 0.964209 0.527552 H\n0.750000 0.767067 0.829219 H\n0.750000 0.035791 0.472447 H\n0.888925 0.780584 0.612687 H\n0.383016 0.020872 0.173877 H\n0.883016 0.979128 0.826122 H\n0.110477 0.844442 0.389838 H\n0.389523 0.844442 0.389838 H\n0.111075 0.219416 0.387312 H\n0.750000 0.065843 0.581095 C\n0.250000 0.934157 0.418905 C\n0.250000 0.129584 0.358706 C\n0.750000 0.870417 0.641293 C\n0.750000 0.432509 0.886648 Br\n0.750000 0.971109 0.131153 Br\n0.250000 0.567492 0.113351 Br\n0.750000 0.480005 0.372121 Br\n0.250000 0.519995 0.627878 Br\n0.250000 0.028891 0.868846 Br\n0.250000 0.097211 0.210075 N\n0.750000 0.902790 0.789924 N\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Hg",
"H",
"C",
"Br",
"N"
],
"chemical_system": "Br-C-H-Hg-N",
"density": 3.686749659318177,
"density_atomic": 0.06846962364443232,
"volume": 438.15050241537995,
"volume_molar": 8.795346665367127,
"formula_full": "Hg2 H16 C4 Br6 N2",
"formula_reduced": "HgH8C2Br3N",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 2.948548011,
"spacegroup": 11
},
{
"id": "jvasp-11194",
"created_at": "2022-09-04T14:37:14.320962Z",
"updated_at": "2022-09-04T14:37:14.320983Z",
"structure_string": "K6 Ge2 Se6\n1.0\n7.580819 0.010392 -2.024080\n-3.257610 6.845209 -2.024080\n0.008233 0.013057 8.431753\nK Ge Se\n6 2 6\ndirect\n0.500000 -0.000000 -0.000000 K\n0.000000 0.500000 0.000000 K\n0.210134 0.210134 0.680795 K\n0.789866 0.789866 0.319205 K\n0.660212 0.339788 0.500000 K\n0.339787 0.660213 0.500000 K\n0.117606 0.117606 0.152759 Ge\n0.882394 0.882395 0.847241 Ge\n0.374190 0.374190 0.132197 Se\n0.625810 0.625811 0.867803 Se\n0.946410 0.252703 0.304978 Se\n0.747296 0.053590 0.695022 Se\n0.053590 0.747297 0.695022 Se\n0.252703 0.946410 0.304978 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"Ge",
"Se"
],
"chemical_system": "Ge-K-Se",
"density": 3.2345792276708956,
"density_atomic": 0.03194678534089706,
"volume": 438.22875605821076,
"volume_molar": 18.850537529016062,
"formula_full": "K6 Ge2 Se6",
"formula_reduced": "K3GeSe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.2050614357142856,
"spacegroup": 12
},
{
"id": "jvasp-88701",
"created_at": "2022-09-04T14:35:44.241593Z",
"updated_at": "2022-09-04T14:35:44.241630Z",
"structure_string": "Rb2 Au2 N24\n1.0\n7.457833 0.007105 -0.079539\n-0.208161 7.454930 -0.079539\n-0.052294 -0.053826 7.884850\nRb Au N\n2 2 24\ndirect\n0.922267 0.077734 0.250000 Rb\n0.077733 0.922267 0.750000 Rb\n0.488043 0.511958 0.750000 Au\n0.511958 0.488043 0.250000 Au\n0.248407 0.474332 0.318521 N\n0.223456 0.534579 0.821057 N\n0.776544 0.465421 0.178942 N\n0.919885 0.280523 0.584320 N\n0.465421 0.776544 0.678942 N\n0.719477 0.080115 0.915679 N\n0.842880 0.592684 0.106468 N\n0.709830 0.913731 0.537677 N\n0.290170 0.086269 0.462323 N\n0.592684 0.842880 0.606468 N\n0.534580 0.223456 0.321057 N\n0.086270 0.290169 0.962323 N\n0.169798 0.605278 0.367880 N\n0.605278 0.169798 0.867880 N\n0.913730 0.709831 0.037677 N\n0.394722 0.830202 0.132120 N\n0.474333 0.248407 0.818521 N\n0.525668 0.751593 0.181479 N\n0.830202 0.394723 0.632120 N\n0.407317 0.157120 0.393531 N\n0.157120 0.407316 0.893531 N\n0.280523 0.919886 0.084320 N\n0.751593 0.525668 0.681479 N\n0.080115 0.719477 0.415679 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Au",
"N"
],
"chemical_system": "Au-N-Rb",
"density": 3.413423079148829,
"density_atomic": 0.0638792819873989,
"volume": 438.32678027789046,
"volume_molar": 9.427377034682316,
"formula_full": "Rb2 Au2 N24",
"formula_reduced": "RbAuN12",
"formula_anonymous": "ABC12",
"energy_above_hull": 5.450112612142858,
"spacegroup": 15
},
{
"id": "jvasp-88239",
"created_at": "2022-09-04T14:36:16.718149Z",
"updated_at": "2022-09-04T14:36:16.718175Z",
"structure_string": "Sr2 H32 O20\n1.0\n6.304823 0.003159 0.037436\n0.003159 6.304823 0.037436\n0.065888 0.065888 11.027715\nSr H O\n2 32 20\ndirect\n0.000815 -0.001361 0.251267 Sr\n-0.001361 0.000815 0.751268 Sr\n0.282500 0.390475 0.645515 H\n0.140144 0.313688 0.533060 H\n0.393010 0.724876 0.649167 H\n0.454266 0.970005 0.631834 H\n0.614368 0.277728 0.645910 H\n0.689052 0.137485 0.531670 H\n0.137485 0.689051 0.031670 H\n0.970005 0.454265 0.131834 H\n0.724876 0.393010 0.149166 H\n0.549107 0.973803 0.131837 H\n0.611493 0.729019 0.149520 H\n0.390475 0.282500 0.145515 H\n0.313688 0.140144 0.033060 H\n0.973803 0.549107 0.631838 H\n0.729019 0.611493 0.649521 H\n0.277727 0.614367 0.145910 H\n0.608923 0.717022 0.857001 H\n0.685712 0.859384 0.969455 H\n0.025725 0.450301 0.370679 H\n0.270517 0.387913 0.353010 H\n0.717021 0.608923 0.357000 H\n0.606484 0.274540 0.353363 H\n0.545207 0.029419 0.370723 H\n0.385117 0.721698 0.356650 H\n0.859384 0.685711 0.469455 H\n0.310410 0.861942 0.470882 H\n0.721698 0.385117 0.856650 H\n0.861942 0.310410 0.970882 H\n0.029419 0.545207 0.870723 H\n0.274540 0.606484 0.853363 H\n0.450301 0.025725 0.870679 H\n0.387913 0.270517 0.853011 H\n0.326775 0.125936 0.876724 O\n0.134400 0.676054 0.122557 O\n0.676054 0.134400 0.622557 O\n0.331575 0.869432 0.626389 O\n0.138897 0.329212 0.623561 O\n0.873591 0.672633 0.625795 O\n0.670186 0.860627 0.878955 O\n0.869432 0.331574 0.126388 O\n0.129988 0.667903 0.876168 O\n0.497705 0.495146 0.819110 O\n0.323418 0.865023 0.379994 O\n0.667903 0.129988 0.376168 O\n0.860627 0.670186 0.378955 O\n0.125936 0.326775 0.376724 O\n0.501725 0.504359 0.183425 O\n0.504359 0.501725 0.683425 O\n0.495146 0.497705 0.319110 O\n0.672633 0.873591 0.125794 O\n0.865023 0.323419 0.879995 O\n0.329212 0.138896 0.123560 O\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 1.9982801999214794,
"density_atomic": 0.12319507250073118,
"volume": 438.3292196989413,
"volume_molar": 4.8882967782370175,
"formula_full": "Sr2 H32 O20",
"formula_reduced": "Sr(H8O5)2",
"formula_anonymous": "AB10C16",
"energy_above_hull": 3.0282796781481487,
"spacegroup": 15
},
{
"id": "jvasp-62082",
"created_at": "2022-09-04T14:36:08.014093Z",
"updated_at": "2022-09-04T14:36:08.014105Z",
"structure_string": "Ca10 Au6\n1.0\n-3.908568 3.908568 7.174129\n3.908568 -3.908568 7.174129\n3.908568 3.908568 -7.174129\nCa Au\n10 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.023440 0.523440 0.836013 Ca\n0.687427 0.187426 0.163988 Ca\n0.187426 0.023440 0.500000 Ca\n0.523440 0.687427 0.500000 Ca\n0.476561 0.312574 0.500000 Ca\n0.812574 0.976561 0.500000 Ca\n0.312574 0.812574 0.836013 Ca\n0.976561 0.476560 0.163988 Ca\n0.750000 0.750000 0.000000 Au\n0.250000 0.250000 0.000000 Au\n0.368009 0.868010 0.236020 Au\n0.631991 0.131991 0.763981 Au\n0.131991 0.368010 0.500000 Au\n0.868010 0.631991 0.500000 Au\n",
"nsites": 16,
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"elements": [
"Ca",
"Au"
],
"chemical_system": "Au-Ca",
"density": 5.994460359126338,
"density_atomic": 0.036496856972637624,
"volume": 438.39391463203253,
"volume_molar": 16.50043663900952,
"formula_full": "Ca10 Au6",
"formula_reduced": "Ca5Au3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.1814512499999999,
"spacegroup": 140
},
{
"id": "jvasp-105626",
"created_at": "2022-09-04T14:35:44.357565Z",
"updated_at": "2022-09-04T14:35:44.357591Z",
"structure_string": "Na3 Sb1 I6\n1.0\n7.384719 -0.000000 4.263569\n2.461573 6.962380 4.263569\n-0.000000 0.000000 8.527138\nNa Sb I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.751589 0.248411 0.248411 I\n0.248411 0.248411 0.751589 I\n0.248411 0.751589 0.751590 I\n0.248411 0.751589 0.248411 I\n0.751589 0.248411 0.751589 I\n0.751589 0.751589 0.248411 I\n",
"nsites": 10,
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"elements": [
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"Sb",
"I"
],
"chemical_system": "I-Na-Sb",
"density": 3.606303516716892,
"density_atomic": 0.022808935187682507,
"volume": 438.4246751422352,
"volume_molar": 26.402551063638132,
"formula_full": "Na3 Sb1 I6",
"formula_reduced": "Na3SbI6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-112005",
"created_at": "2022-09-04T14:38:41.637272Z",
"updated_at": "2022-09-04T14:38:41.637299Z",
"structure_string": "H22 C26 N2\n1.0\n4.868453 -0.119245 1.410238\n2.006207 7.694148 2.216424\n-0.030276 -0.117159 11.596943\nH C N\n22 26 2\ndirect\n0.237018 0.637580 0.559427 H\n0.464704 0.792477 0.052233 H\n0.001595 0.469167 0.979724 H\n0.772346 0.624892 0.386596 H\n0.022104 0.104196 0.393237 H\n0.560801 0.411191 0.355948 H\n0.292851 0.316256 0.276412 H\n0.590649 0.333617 0.053452 H\n0.843515 0.173587 0.125316 H\n0.195438 0.693382 0.005377 H\n0.647319 0.027344 0.062243 H\n0.829829 0.870475 0.380122 H\n0.559860 0.093115 0.477222 H\n0.400476 0.213656 0.891241 H\n0.606891 0.714496 0.888960 H\n0.418243 0.479286 0.874766 H\n0.191370 -0.002490 0.862943 H\n0.886289 0.920657 0.778914 H\n0.182895 0.941072 0.554537 H\n0.435417 0.780652 0.625976 H\n0.775655 0.306599 0.505874 H\n0.061225 0.398910 0.549940 H\n0.825705 0.592556 0.296206 C\n0.011162 0.902343 0.310246 C\n0.705819 0.469715 0.279199 C\n0.345831 0.087265 0.228555 C\n0.008209 0.675916 0.199370 C\n0.357894 0.862661 0.125976 C\n0.126327 0.812608 0.212795 C\n0.465979 0.996388 0.132148 C\n0.066341 0.628053 0.085038 C\n0.953569 0.502494 0.069530 C\n0.118209 0.035220 0.318068 C\n0.770327 0.421162 0.165984 C\n0.663170 0.284113 0.140627 C\n0.439443 0.188451 0.799486 C\n0.954587 0.468311 0.624320 C\n0.651435 0.237516 0.585165 C\n0.058905 0.603892 0.630289 C\n0.724805 0.416868 0.711772 C\n0.362139 0.027374 0.667818 C\n0.608014 0.278527 0.700437 C\n0.937102 0.694573 0.726948 C\n0.318911 0.065156 0.783432 C\n0.603113 0.509574 0.807211 C\n0.706386 0.643892 0.814860 C\n0.254814 0.891061 0.641639 C\n0.529522 0.116770 0.568976 C\n0.038186 0.827418 0.739655 N\n0.446517 0.221629 0.239455 N\n",
"nsites": 50,
"nelements": 3,
"elements": [
"H",
"C",
"N"
],
"chemical_system": "C-H-N",
"density": 1.3727700770996043,
"density_atomic": 0.11403839604427166,
"volume": 438.4488184189222,
"volume_molar": 5.280801001148861,
"formula_full": "H22 C26 N2",
"formula_reduced": "H11C13N",
"formula_anonymous": "AB11C13",
"energy_above_hull": 5.71794693,
"spacegroup": 1
},
{
"id": "jvasp-98108",
"created_at": "2022-09-04T14:36:02.150917Z",
"updated_at": "2022-09-04T14:36:02.150944Z",
"structure_string": "Rb2 Pr2 P6 H2 O20\n1.0\n6.835510 -0.006821 1.928812\n0.386454 7.367973 2.160738\n0.004015 0.011222 8.709748\nRb Pr P H O\n2 2 6 2 20\ndirect\n0.296887 0.303216 0.971959 Rb\n0.703113 0.696783 0.028041 Rb\n0.728551 0.633691 0.508658 Pr\n0.271449 0.366308 0.491342 Pr\n0.821856 0.298678 0.346198 P\n0.831685 0.227540 0.818437 P\n0.168315 0.772460 0.181564 P\n0.356882 0.964248 0.353510 P\n0.178144 0.701321 0.653802 P\n0.643119 0.035751 0.646491 P\n0.811589 0.186250 0.083338 H\n0.188411 0.813749 0.916662 H\n0.632557 0.421850 0.372298 O\n0.041743 0.640526 0.570818 O\n0.701803 0.394163 0.766786 O\n0.298197 0.605836 0.233214 O\n0.905994 0.288237 0.170918 O\n0.950290 0.749662 0.236271 O\n0.374739 0.166106 0.311513 O\n0.788279 0.064172 0.748582 O\n0.539002 0.843749 0.328904 O\n0.367443 0.578149 0.627703 O\n0.094006 0.711763 0.829082 O\n0.211721 0.935827 0.251418 O\n0.766766 0.091140 0.455624 O\n0.625261 0.833894 0.688488 O\n0.049710 0.250338 0.763729 O\n0.460998 0.156250 0.671096 O\n0.958257 0.359474 0.429182 O\n0.758324 0.133674 0.008200 O\n0.233234 0.908860 0.544376 O\n0.241675 0.866326 -0.008200 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Rb",
"Pr",
"P",
"H",
"O"
],
"chemical_system": "H-O-P-Pr-Rb",
"density": 3.6379407480103776,
"density_atomic": 0.07298189185473979,
"volume": 438.4649285838124,
"volume_molar": 8.251554744547082,
"formula_full": "Rb2 Pr2 P6 H2 O20",
"formula_reduced": "RbPrP3HO10",
"formula_anonymous": "ABCD3E10",
"energy_above_hull": 2.678368834375,
"spacegroup": 2
},
{
"id": "jvasp-104124",
"created_at": "2022-09-04T14:36:56.951651Z",
"updated_at": "2022-09-04T14:36:56.951683Z",
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"elements": [
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{
"id": "jvasp-23478",
"created_at": "2022-09-04T14:37:31.672969Z",
"updated_at": "2022-09-04T14:37:31.672988Z",
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"elements": [
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"chemical_system": "Pb-S-Ta",
"density": 7.13575791279533,
"density_atomic": 0.04559741585093213,
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"volume_molar": 13.20719748612002,
"formula_full": "Ta6 Pb2 S12",
"formula_reduced": "Ta3PbS6",
"formula_anonymous": "AB3C6",
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"spacegroup": 193
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]
}