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=283",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=281",
"results": [
{
"id": "jvasp-113063",
"created_at": "2022-09-04T14:38:44.423854Z",
"updated_at": "2022-09-04T14:38:44.423884Z",
"structure_string": "Rb2 Al2 Si6 O16\n1.0\n7.741951 -0.049935 1.952633\n-3.639965 6.833078 1.952633\n0.021079 0.034856 7.200275\nRb Al Si O\n2 2 6 16\ndirect\n0.286071 0.297962 0.855782 Rb\n0.702038 0.713929 0.144216 Rb\n0.596503 0.834180 0.659533 Al\n0.165820 0.403497 0.340465 Al\n0.800305 0.178731 0.224552 Si\n0.196872 0.811883 0.780146 Si\n0.188117 0.803128 0.219853 Si\n0.400199 0.160070 0.341978 Si\n0.839929 0.599801 0.658020 Si\n0.821269 0.199695 0.775447 Si\n0.968451 0.705885 0.405529 O\n0.337795 0.713977 0.748267 O\n0.738212 0.360015 0.733351 O\n0.353089 0.339604 0.279243 O\n0.660396 0.646911 0.720756 O\n0.706808 0.957582 0.391401 O\n0.294115 0.031548 0.594470 O\n0.326459 0.019179 0.215768 O\n0.152168 0.847832 -0.000000 O\n0.842345 0.157654 -0.000000 O\n0.007576 0.333790 0.213792 O\n0.286023 0.662205 0.251732 O\n0.980820 0.673541 0.784231 O\n0.666210 -0.007576 0.786207 O\n0.042418 0.293191 0.608597 O\n0.639985 0.261788 0.266648 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Rb",
"Al",
"Si",
"O"
],
"chemical_system": "Al-O-Rb-Si",
"density": 2.8487460868274654,
"density_atomic": 0.06868538211504693,
"volume": 378.5376043544522,
"volume_molar": 8.767718216829616,
"formula_full": "Rb2 Al2 Si6 O16",
"formula_reduced": "RbAlSi3O8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 2.553215123076923,
"spacegroup": 5
},
{
"id": "jvasp-46722",
"created_at": "2022-09-04T14:38:31.122041Z",
"updated_at": "2022-09-04T14:38:31.122058Z",
"structure_string": "Li2 V4 P4 O16\n1.0\n0.000000 4.749440 0.013420\n10.156274 0.000000 0.000000\n0.000000 -0.110817 -5.843633\nLi V P O\n2 4 4 16\ndirect\n0.750008 0.748309 0.250016 Li\n0.249992 0.248309 0.749984 Li\n0.275660 0.975635 0.002708 V\n0.224335 0.520994 0.497290 V\n0.724340 0.475635 0.997292 V\n0.775664 0.020994 0.502709 V\n0.837737 0.156737 0.003931 P\n0.662273 0.339892 0.496078 P\n0.337727 0.839892 0.503922 P\n0.162263 0.656736 -0.003931 P\n0.526146 0.420036 0.292071 O\n0.518093 0.144542 0.989743 O\n0.559734 0.197225 0.502086 O\n0.940261 0.299404 0.997947 O\n0.981915 0.352082 0.510274 O\n0.512334 0.411683 0.705080 O\n0.012323 0.584957 0.205083 O\n0.018084 0.852081 0.489725 O\n0.481907 0.644542 0.010257 O\n0.440265 0.697225 0.497913 O\n0.059738 0.799403 0.002052 O\n0.973874 0.076583 0.207927 O\n0.487665 0.911682 0.294920 O\n0.473854 0.920036 0.707929 O\n0.026125 0.576583 0.792073 O\n0.987676 0.084957 0.794917 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 3.520260823809056,
"density_atomic": 0.09224373347643336,
"volume": 281.8619652536347,
"volume_molar": 6.528509344798527,
"formula_full": "Li2 V4 P4 O16",
"formula_reduced": "LiV2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.0942667230769234,
"spacegroup": 14
},
{
"id": "jvasp-112413",
"created_at": "2022-09-04T14:38:40.058557Z",
"updated_at": "2022-09-04T14:38:40.058575Z",
"structure_string": "Na6 Fe2 P2 C2 O14\n1.0\n6.571960 -0.000000 0.000000\n0.000000 5.134813 0.050044\n-0.000000 -0.009149 9.008351\nNa Fe P C O\n6 2 2 2 14\ndirect\n0.499873 0.248403 0.262696 Na\n-0.000127 0.751596 0.737304 Na\n0.500127 0.751596 0.737304 Na\n0.000127 0.248403 0.262696 Na\n0.750000 0.234228 0.917761 Na\n0.250000 0.765771 0.082238 Na\n0.250000 0.221353 0.645180 Fe\n0.750000 0.778646 0.354820 Fe\n0.250000 0.701141 0.412867 P\n0.750000 0.298858 0.587132 P\n0.250000 0.272226 0.941203 C\n0.750000 0.727773 0.058797 C\n0.250000 0.837408 0.564621 O\n0.750000 0.162591 0.435379 O\n0.561387 0.222201 0.683239 O\n0.061387 0.777799 0.316760 O\n0.438613 0.777799 0.316760 O\n0.938613 0.222201 0.683239 O\n0.250000 0.047127 0.875297 O\n0.250000 0.283938 0.084829 O\n0.750000 0.516301 0.139293 O\n0.250000 0.483698 0.860707 O\n0.750000 0.952872 0.124703 O\n0.250000 0.399646 0.437217 O\n0.750000 0.716061 0.915170 O\n0.750000 0.600353 0.562782 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Na",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Na-O-P",
"density": 3.0566747742998666,
"density_atomic": 0.08552719051996469,
"volume": 303.99689083591255,
"volume_molar": 7.04120025852392,
"formula_full": "Na6 Fe2 P2 C2 O14",
"formula_reduced": "Na3FePCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.41953403846154,
"spacegroup": 11
},
{
"id": "jvasp-116607",
"created_at": "2022-09-04T14:38:44.267180Z",
"updated_at": "2022-09-04T14:38:44.267210Z",
"structure_string": "Na2 Fe4 Pb2 F18\n1.0\n7.135892 -0.090875 0.167890\n-3.518692 6.208705 0.167890\n-0.049986 -0.084543 7.640801\nNa Fe Pb F\n2 4 2 18\ndirect\n0.500000 -0.000000 0.000000 Na\n-0.000000 0.500000 0.500000 Na\n-0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n-0.000000 0.500000 0.000000 Fe\n0.472894 0.527105 0.750000 Pb\n0.527105 0.472894 0.250000 Pb\n0.305960 0.223539 0.983879 F\n0.694039 0.776460 0.016120 F\n0.274820 0.582290 0.075129 F\n0.725179 0.417709 0.924870 F\n0.417709 0.725179 0.424871 F\n0.582290 0.274820 0.575129 F\n0.907463 0.524769 0.222400 F\n0.092537 0.475230 0.777600 F\n0.970362 0.029636 0.750000 F\n0.524769 0.907462 0.722400 F\n0.029637 0.970362 0.250000 F\n0.223538 0.305960 0.483880 F\n0.897175 0.206284 0.050275 F\n0.102824 0.793715 0.949725 F\n0.793715 0.102823 0.449725 F\n0.206284 0.897175 0.550275 F\n0.475230 0.092537 0.277600 F\n0.776461 0.694038 0.516120 F\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Na",
"Fe",
"Pb",
"F"
],
"chemical_system": "F-Fe-Na-Pb",
"density": 5.064965118431416,
"density_atomic": 0.07731563274913526,
"volume": 336.28386751178465,
"volume_molar": 7.789033790281377,
"formula_full": "Na2 Fe4 Pb2 F18",
"formula_reduced": "NaFe2PbF9",
"formula_anonymous": "ABC2D9",
"energy_above_hull": 0.2965548740384614,
"spacegroup": 15
},
{
"id": "jvasp-112068",
"created_at": "2022-09-04T14:38:44.125971Z",
"updated_at": "2022-09-04T14:38:44.126008Z",
"structure_string": "H8 C15 S2 O1\n1.0\n3.748039 -0.029212 0.031007\n0.018411 5.601699 0.423755\n0.019501 -0.183207 13.092749\nH C S O\n8 15 2 1\ndirect\n0.674022 0.123406 0.861556 H\n0.799461 0.956739 0.197040 H\n0.852866 0.206211 0.334838 H\n0.667414 0.882574 0.007313 H\n0.881981 0.153643 0.531827 H\n0.336120 0.857683 0.656960 H\n0.217196 0.826205 0.843146 H\n0.818578 0.159022 0.679838 H\n0.680619 0.305441 0.713460 C\n0.600342 0.283985 0.816395 C\n0.579992 0.509212 0.652165 C\n0.430085 0.469079 0.865095 C\n0.418333 0.697068 0.701672 C\n0.349805 0.679750 0.807272 C\n0.320264 0.404978 0.973215 C\n0.418580 0.541674 0.059174 C\n0.632964 0.502848 0.541623 C\n0.546744 0.613225 0.241221 C\n0.772773 0.312144 0.492346 C\n0.757551 0.339155 0.385359 C\n0.653994 0.801583 0.173889 C\n0.587014 0.759218 0.070534 C\n0.613959 0.554382 0.348953 C\n0.492493 0.722732 0.451006 S\n0.347568 0.389551 0.176802 S\n0.162292 0.209682 0.990858 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6193354535087334,
"density_atomic": 0.09448305786209457,
"volume": 275.1816102094096,
"volume_molar": 6.373778427863529,
"formula_full": "H8 C15 S2 O1",
"formula_reduced": "H8C15S2O",
"formula_anonymous": "AB2C8D15",
"energy_above_hull": 5.773252826923076,
"spacegroup": 1
},
{
"id": "jvasp-112412",
"created_at": "2022-09-04T14:38:40.036922Z",
"updated_at": "2022-09-04T14:38:40.036952Z",
"structure_string": "Rb4 Na8 Co4 O10\n1.0\n6.472495 -0.000000 0.000000\n0.000000 6.472495 0.000000\n-0.000000 -0.000000 10.038521\nRb Na Co O\n4 8 4 10\ndirect\n0.302018 0.302018 -0.000000 Rb\n0.197982 0.802017 0.500000 Rb\n0.802017 0.197982 0.500000 Rb\n0.697982 0.697982 -0.000000 Rb\n-0.000000 0.500000 0.750000 Na\n0.500000 0.000000 0.750000 Na\n0.000000 0.000000 0.776162 Na\n0.500000 0.000000 0.250000 Na\n0.500000 0.500000 0.276162 Na\n0.500000 0.500000 0.723837 Na\n0.000000 0.000000 0.223837 Na\n-0.000000 0.500000 0.250000 Na\n0.289769 0.289769 0.500000 Co\n0.210230 0.789769 -0.000000 Co\n0.710230 0.710230 0.500000 Co\n0.789769 0.210230 -0.000000 Co\n0.777146 0.777146 0.330385 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.722853 0.277146 0.830385 O\n0.277146 0.722853 0.830385 O\n0.222854 0.222854 0.330385 O\n0.777146 0.777146 0.669615 O\n0.222854 0.222854 0.669615 O\n0.722853 0.277146 0.169615 O\n0.277146 0.722853 0.169615 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O-Rb",
"density": 3.638638092596424,
"density_atomic": 0.06182443681714836,
"volume": 420.5456828809855,
"volume_molar": 9.74071268584468,
"formula_full": "Rb4 Na8 Co4 O10",
"formula_reduced": "Rb2Na4Co2O5",
"formula_anonymous": "A2B2C4D5",
"energy_above_hull": 1.212239638461539,
"spacegroup": 136
},
{
"id": "jvasp-57275",
"created_at": "2022-09-04T14:38:34.319272Z",
"updated_at": "2022-09-04T14:38:34.319303Z",
"structure_string": "Tl2 In10 S14\n1.0\n0.000000 9.220332 -0.011768\n3.941399 0.000000 0.000000\n0.000000 -3.720690 -17.114957\nTl In S\n2 10 14\ndirect\n0.974213 0.250000 0.274780 Tl\n0.025787 0.750000 0.725221 Tl\n0.565864 0.250000 0.119583 In\n0.476509 0.750000 0.397466 In\n0.827652 0.250000 0.467548 In\n0.319705 0.250000 0.188858 In\n0.680295 0.750000 0.811143 In\n0.434136 0.750000 0.880417 In\n0.854883 0.750000 0.045853 In\n0.523491 0.250000 0.602534 In\n0.145117 0.250000 0.954148 In\n0.172348 0.750000 0.532453 In\n0.739684 0.250000 0.728119 S\n0.335718 0.750000 0.006670 S\n0.614995 0.250000 0.347203 S\n0.385005 0.750000 0.652797 S\n0.035785 0.250000 0.588909 S\n0.742895 0.750000 0.172456 S\n0.964215 0.750000 0.411091 S\n0.669641 0.750000 0.532994 S\n0.056912 0.250000 0.090154 S\n0.664282 0.250000 0.993331 S\n0.330359 0.250000 0.467007 S\n0.257105 0.250000 0.827544 S\n0.260316 0.750000 0.271881 S\n0.943088 0.750000 0.909846 S\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Tl",
"In",
"S"
],
"chemical_system": "In-S-Tl",
"density": 5.353720842346675,
"density_atomic": 0.04179074283530434,
"volume": 622.1473521651666,
"volume_molar": 14.410226646922785,
"formula_full": "Tl2 In10 S14",
"formula_reduced": "TlIn5S7",
"formula_anonymous": "AB5C7",
"energy_above_hull": 0.912985573076923,
"spacegroup": 11
},
{
"id": "jvasp-112755",
"created_at": "2022-09-04T14:38:43.906392Z",
"updated_at": "2022-09-04T14:38:43.906409Z",
"structure_string": "Li2 Co8 O16\n1.0\n5.342411 -0.041855 1.590628\n2.870509 4.778119 -0.051352\n-0.087480 -0.045000 9.753730\nLi Co O\n2 8 16\ndirect\n0.999669 0.249499 0.249834 Li\n0.000331 0.750500 0.750166 Li\n0.499999 0.500002 0.500000 Co\n0.000003 -0.000001 0.500000 Co\n-0.000003 0.500002 0.000000 Co\n0.500002 -0.000003 0.000000 Co\n0.500016 0.750014 0.250008 Co\n0.500001 0.500001 0.000000 Co\n0.499999 -0.000002 0.500000 Co\n0.499985 0.249985 0.749992 Co\n0.711409 0.642729 0.380921 O\n0.261860 0.867536 0.605703 O\n0.261841 0.367513 0.105700 O\n0.288591 0.357271 0.619080 O\n0.288609 0.857236 0.119076 O\n0.711392 0.142763 0.880924 O\n0.738158 0.632487 0.894302 O\n0.263984 0.645992 0.381985 O\n0.261828 0.592323 0.880918 O\n0.261810 0.092319 0.380910 O\n0.263960 0.145978 0.881988 O\n0.738173 0.407677 0.119082 O\n0.736017 0.354008 0.618016 O\n0.736040 0.854021 0.118012 O\n0.738141 0.132463 0.394296 O\n0.738190 0.907679 0.619091 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.912312069536215,
"density_atomic": 0.10375139882226524,
"volume": 250.5990309059848,
"volume_molar": 5.804394763213196,
"formula_full": "Li2 Co8 O16",
"formula_reduced": "Li(CoO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.034581661538462,
"spacegroup": 166
},
{
"id": "jvasp-55274",
"created_at": "2022-09-04T14:38:33.862440Z",
"updated_at": "2022-09-04T14:38:33.862459Z",
"structure_string": "K16 Sn2 Sb8\n1.0\n9.970494 -0.000000 5.756467\n3.323498 9.400271 5.756467\n-0.000000 -0.000000 11.512934\nK Sn Sb\n16 2 8\ndirect\n0.000000 0.000000 0.000000 K\n0.149066 0.600934 0.600934 K\n0.399066 0.850934 0.850934 K\n0.600934 0.149066 0.600934 K\n0.149066 0.149066 0.600934 K\n0.149066 0.600934 0.149066 K\n0.399066 0.850934 0.399066 K\n0.850934 0.399066 0.850934 K\n0.600934 0.600934 0.149066 K\n0.399066 0.399066 0.850934 K\n0.850934 0.850934 0.399067 K\n0.600934 0.149066 0.149066 K\n0.850934 0.399066 0.399066 K\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.125000 0.125000 0.125000 Sn\n0.875000 0.875000 0.875000 Sn\n0.229342 0.229342 0.811973 Sb\n0.229342 0.229342 0.229342 Sb\n0.770658 0.770657 0.188028 Sb\n0.188027 0.770657 0.770658 Sb\n0.770657 0.188027 0.770658 Sb\n0.811973 0.229342 0.229343 Sb\n0.229343 0.811973 0.229343 Sb\n0.770658 0.770657 0.770658 Sb\n",
"nsites": 26,
"nelements": 3,
"elements": [
"K",
"Sn",
"Sb"
],
"chemical_system": "K-Sb-Sn",
"density": 2.827042900199381,
"density_atomic": 0.024095185962228115,
"volume": 1079.0537180645915,
"volume_molar": 24.99312837610125,
"formula_full": "K16 Sn2 Sb8",
"formula_reduced": "K8SnSb4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 0.0,
"spacegroup": 227
},
{
"id": "jvasp-57278",
"created_at": "2022-09-04T14:38:34.376000Z",
"updated_at": "2022-09-04T14:38:34.376011Z",
"structure_string": "Ta4 Ni6 S16\n1.0\n3.347752 0.000000 0.000000\n0.000000 10.137473 0.000000\n0.000000 0.000000 14.200292\nTa Ni S\n4 6 16\ndirect\n0.500000 0.201918 0.119115 Ta\n0.500000 0.701918 0.380885 Ta\n0.500000 0.298082 0.619114 Ta\n0.500000 0.798082 0.880885 Ta\n0.000000 0.500000 0.500000 Ni\n0.000000 0.869115 0.274705 Ni\n0.000000 0.130884 0.725295 Ni\n0.000000 0.630884 0.774705 Ni\n0.000000 0.369115 0.225295 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.280335 0.491795 S\n0.000000 0.780334 0.008205 S\n0.500000 0.941498 0.368721 S\n0.000000 0.027079 0.154988 S\n0.500000 0.058502 0.631279 S\n0.500000 0.441498 0.131279 S\n0.500000 0.558502 0.868721 S\n0.500000 0.753735 0.713685 S\n0.000000 0.719665 0.508205 S\n0.500000 0.246265 0.286315 S\n0.000000 0.527078 0.345012 S\n0.500000 0.253735 0.786315 S\n0.500000 0.746265 0.213685 S\n0.000000 0.972921 0.845012 S\n0.000000 0.219665 0.991795 S\n0.000000 0.472921 0.654988 S\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ta",
"Ni",
"S"
],
"chemical_system": "Ni-S-Ta",
"density": 5.475080673541825,
"density_atomic": 0.053950203157438884,
"volume": 481.92589607357223,
"volume_molar": 11.16240608478532,
"formula_full": "Ta4 Ni6 S16",
"formula_reduced": "Ta2Ni3S8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.9331473538461537,
"spacegroup": 55
},
{
"id": "jvasp-116603",
"created_at": "2022-09-04T14:38:43.435594Z",
"updated_at": "2022-09-04T14:38:43.435621Z",
"structure_string": "Ni4 Mo6 O16\n1.0\n5.782861 -0.000000 0.000000\n-2.891430 5.008105 0.000000\n-0.000000 -0.000000 9.747857\nNi Mo O\n4 6 16\ndirect\n0.666666 0.333333 0.941954 Ni\n0.333333 0.666666 0.441954 Ni\n0.666666 0.333333 0.375275 Ni\n0.333333 0.666666 0.875276 Ni\n0.706597 0.853298 0.140204 Mo\n0.293402 0.146701 0.640204 Mo\n0.146701 0.853298 0.140204 Mo\n0.853298 0.146701 0.640204 Mo\n0.853298 0.706597 0.640204 Mo\n0.146701 0.293402 0.140204 Mo\n0.829397 0.658795 0.257104 O\n0.000000 0.000000 0.495737 O\n0.000000 0.000000 0.995738 O\n0.341204 0.170602 0.257104 O\n0.829397 0.170602 0.257104 O\n0.658795 0.829397 0.757105 O\n0.170602 0.829397 0.757105 O\n0.487680 0.975360 0.019705 O\n0.024638 0.512319 0.019705 O\n0.487680 0.512319 0.019705 O\n0.975361 0.487680 0.519705 O\n0.666666 0.333333 0.744595 O\n0.512319 0.487680 0.519705 O\n0.512319 0.024639 0.519705 O\n0.170602 0.341204 0.757105 O\n0.333333 0.666666 0.244595 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ni",
"Mo",
"O"
],
"chemical_system": "Mo-Ni-O",
"density": 6.272570253482804,
"density_atomic": 0.09209753772204757,
"volume": 282.30939331373423,
"volume_molar": 6.538872709251963,
"formula_full": "Ni4 Mo6 O16",
"formula_reduced": "Ni2Mo3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 3.5838554230769235,
"spacegroup": 186
},
{
"id": "jvasp-51071",
"created_at": "2022-09-04T14:38:33.795522Z",
"updated_at": "2022-09-04T14:38:33.795548Z",
"structure_string": "Ba4 Co2 Se4 Cl4 O12\n1.0\n5.397051 0.000000 0.000000\n0.000000 6.814531 -0.000000\n0.000000 -0.000000 12.639098\nBa Co Se Cl O\n4 2 4 4 12\ndirect\n0.500000 0.697584 0.731733 Ba\n0.500000 0.302416 0.268267 Ba\n0.000000 0.197584 0.768267 Ba\n0.000000 0.802416 0.231733 Ba\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.757548 0.429994 Se\n0.500000 0.242452 0.570006 Se\n0.000000 0.257548 0.070006 Se\n0.000000 0.742452 0.929994 Se\n0.000000 0.177282 0.398089 Cl\n0.000000 0.822717 0.601911 Cl\n0.500000 0.322717 0.898089 Cl\n0.500000 0.677282 0.101911 Cl\n0.257681 0.399613 0.607316 O\n0.757681 0.100387 0.107316 O\n0.000000 0.585272 0.825482 O\n0.257681 0.600387 0.392684 O\n0.000000 0.414728 0.174518 O\n0.742319 0.600387 0.392684 O\n0.742319 0.399613 0.607316 O\n0.242319 0.899613 0.892685 O\n0.242319 0.100387 0.107316 O\n0.500000 0.914728 0.325482 O\n0.500000 0.085272 0.674518 O\n0.757681 0.899613 0.892685 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Ba",
"Co",
"Se",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-Co-O-Se",
"density": 4.703993030081715,
"density_atomic": 0.055932569789328125,
"volume": 464.8454397487879,
"volume_molar": 10.766787191581924,
"formula_full": "Ba4 Co2 Se4 Cl4 O12",
"formula_reduced": "Ba2CoSe2(ClO3)2",
"formula_anonymous": "AB2C2D2E6",
"energy_above_hull": 1.7786445160256408,
"spacegroup": 58
}
]
}