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=-volume&page=277",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=275",
"results": [
{
"id": "jvasp-96481",
"created_at": "2022-09-04T14:36:01.853395Z",
"updated_at": "2022-09-04T14:36:01.853415Z",
"structure_string": "Sc4 Se6 O18\n1.0\n8.095862 -0.000000 -0.000000\n-4.047931 7.011222 0.000000\n-0.000000 -0.000000 7.702280\nSc Se O\n4 6 18\ndirect\n0.333333 0.666667 0.454534 Sc\n0.666667 0.333333 0.954534 Sc\n0.666667 0.333333 0.545466 Sc\n0.333333 0.666667 0.045466 Sc\n0.705098 0.967054 0.750000 Se\n0.967054 0.261956 0.250000 Se\n0.032946 0.738044 0.750000 Se\n0.294902 0.032946 0.250000 Se\n0.261956 0.294902 0.750000 Se\n0.738044 0.705098 0.250000 Se\n0.236213 0.411903 0.577220 O\n0.411903 0.175690 0.077220 O\n0.877368 0.490451 0.750000 O\n0.386919 0.877368 0.250000 O\n0.411903 0.175690 0.422780 O\n0.613081 0.122631 0.750000 O\n0.122631 0.509549 0.250000 O\n0.175690 0.763787 0.577220 O\n0.824309 0.236213 0.077220 O\n0.763787 0.588097 0.077220 O\n0.588097 0.824309 0.577220 O\n0.588097 0.824309 0.922780 O\n0.763787 0.588097 0.422780 O\n0.824309 0.236213 0.422780 O\n0.175690 0.763787 0.922780 O\n0.236213 0.411903 0.922780 O\n0.509549 0.386919 0.750000 O\n0.490451 0.613081 0.250000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sc",
"Se",
"O"
],
"chemical_system": "O-Sc-Se",
"density": 3.576242055621781,
"density_atomic": 0.06404451093840421,
"volume": 437.1959374774433,
"volume_molar": 9.403055268533297,
"formula_full": "Sc4 Se6 O18",
"formula_reduced": "Sc2(SeO3)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.6071630071428573,
"spacegroup": 176
},
{
"id": "jvasp-97595",
"created_at": "2022-09-04T14:36:10.660422Z",
"updated_at": "2022-09-04T14:36:10.660439Z",
"structure_string": "Mg3 V6 Fe4 O24\n1.0\n6.325012 -0.114201 -1.706893\n-2.380235 7.226612 -2.172153\n0.021176 -0.127235 9.662978\nMg V Fe O\n3 6 4 24\ndirect\n0.000000 0.500000 0.500000 Mg\n0.276525 0.291575 0.796954 Mg\n0.723475 0.708425 0.203047 Mg\n0.784319 0.343741 0.734671 V\n0.600789 0.254104 0.130181 V\n0.118287 0.105486 0.337838 V\n0.399211 0.745897 0.869820 V\n0.881713 0.894514 0.662163 V\n0.215681 0.656260 0.265330 V\n0.955881 0.803550 0.987789 Fe\n0.376704 0.962416 0.601435 Fe\n0.623296 0.037584 0.398566 Fe\n0.044118 0.196450 0.012212 Fe\n0.874319 0.983817 0.355719 O\n0.766112 0.188326 0.027746 O\n0.233888 0.811674 0.972255 O\n0.009496 0.718753 0.154100 O\n0.990504 0.281247 0.845901 O\n0.838505 0.669909 0.577831 O\n0.435734 0.875817 0.758631 O\n0.161495 0.330092 0.422170 O\n0.254184 0.516662 0.742214 O\n0.745816 0.483339 0.257787 O\n0.793176 0.290681 0.543917 O\n0.206823 0.709319 0.456084 O\n0.651705 0.959209 0.569821 O\n0.348294 0.040792 0.430180 O\n0.657887 0.763103 0.004568 O\n0.342113 0.236897 0.995433 O\n0.477322 0.776918 0.266406 O\n0.522677 0.223083 0.733595 O\n0.125681 0.016183 0.644282 O\n0.081087 0.056186 0.139475 O\n0.918913 0.943815 0.860526 O\n0.564266 0.124183 0.241370 O\n0.172010 0.428365 0.172154 O\n0.827990 0.571635 0.827847 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Mg",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-Mg-O-V",
"density": 3.7459307776559436,
"density_atomic": 0.084657700695676,
"volume": 437.05415686880116,
"volume_molar": 7.11351797947849,
"formula_full": "Mg3 V6 Fe4 O24",
"formula_reduced": "Mg3V6(FeO6)4",
"formula_anonymous": "A3B4C6D24",
"energy_above_hull": 3.2699091445945947,
"spacegroup": 2
},
{
"id": "jvasp-98162",
"created_at": "2022-09-04T14:35:45.767111Z",
"updated_at": "2022-09-04T14:35:45.767128Z",
"structure_string": "K4 Fe2 H8 S4 O20\n1.0\n6.782686 -0.033474 -2.503118\n-2.280643 9.986121 -3.505594\n0.016268 -0.015202 6.459380\nK Fe H S O\n4 2 8 4 20\ndirect\n0.746433 0.900899 0.189104 K\n0.253569 0.099101 0.810897 K\n0.238118 0.575496 0.812831 K\n0.761883 0.424505 0.187170 K\n0.473038 0.750054 0.498506 Fe\n0.526964 0.249947 0.501495 Fe\n0.073624 0.714062 0.369484 H\n0.827894 0.205161 0.343863 H\n0.172108 0.794840 0.656138 H\n0.926378 0.285938 0.630517 H\n0.820301 0.700834 0.562855 H\n0.151219 0.141622 0.375400 H\n0.848783 0.858379 0.624601 H\n0.179700 0.299166 0.437146 H\n0.273261 0.924948 0.173206 S\n0.726741 0.075053 0.826795 S\n0.728983 0.584136 0.813467 S\n0.271018 0.415865 0.186534 S\n0.165309 0.428756 0.350864 O\n0.875004 0.636081 0.064068 O\n0.124998 0.363919 0.935933 O\n0.229472 0.230171 0.500372 O\n0.400160 0.548921 0.243551 O\n0.770529 0.769830 0.499629 O\n0.834693 0.571245 0.649137 O\n0.599841 0.451080 0.756450 O\n0.409315 0.320404 0.217428 O\n0.433729 0.045925 0.237917 O\n0.622670 0.185171 0.787995 O\n0.377332 0.814829 0.212006 O\n0.846079 0.041783 0.679027 O\n0.153922 0.958217 0.320974 O\n0.858364 0.121344 0.084559 O\n0.141638 0.878657 0.915442 O\n0.566272 0.954075 0.762084 O\n0.189384 0.729367 0.518712 O\n0.590686 0.679597 0.782573 O\n0.810618 0.270634 0.481289 O\n",
"nsites": 38,
"nelements": 5,
"elements": [
"K",
"Fe",
"H",
"S",
"O"
],
"chemical_system": "Fe-H-K-O-S",
"density": 2.7527338743840333,
"density_atomic": 0.086960784741695,
"volume": 436.97857733084805,
"volume_molar": 6.925122373133979,
"formula_full": "K4 Fe2 H8 S4 O20",
"formula_reduced": "K2FeH4(SO5)2",
"formula_anonymous": "AB2C2D4E10",
"energy_above_hull": 2.5608471842105263,
"spacegroup": 2
},
{
"id": "jvasp-26783",
"created_at": "2022-09-04T14:38:29.845681Z",
"updated_at": "2022-09-04T14:38:29.845707Z",
"structure_string": "Th4 P4 O18\n1.0\n5.893823 0.002406 -0.000000\n-1.461280 5.709800 -0.000000\n0.000000 0.000000 12.983574\nTh P O\n4 4 18\ndirect\n0.291986 0.708014 0.572148 Th\n0.708014 0.291986 0.427852 Th\n0.208014 0.791986 0.072148 Th\n0.791986 0.208015 0.927852 Th\n0.389342 0.610658 0.858639 P\n0.110658 0.889342 0.358640 P\n0.610658 0.389343 0.141360 P\n0.889342 0.110658 0.641360 P\n0.149645 0.515451 0.915397 O\n0.853756 0.146245 0.756038 O\n0.500000 0.500000 0.500000 O\n0.551739 0.448261 0.876054 O\n0.515451 0.149646 0.084602 O\n0.353756 0.646244 0.743961 O\n0.350354 0.984549 0.415398 O\n0.948261 0.051740 0.376054 O\n0.649645 0.015452 0.584602 O\n0.850354 0.484549 0.084602 O\n0.448261 0.551739 0.123945 O\n0.015451 0.649646 0.415398 O\n0.484549 0.850355 0.915397 O\n0.146244 0.853756 0.243962 O\n0.984548 0.350355 0.584602 O\n0.051739 0.948261 0.623945 O\n0.646244 0.353756 0.256038 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Th",
"P",
"O"
],
"chemical_system": "O-P-Th",
"density": 5.092231135687772,
"density_atomic": 0.05949983132073218,
"volume": 436.97602871927023,
"volume_molar": 10.121273668050954,
"formula_full": "Th4 P4 O18",
"formula_reduced": "Th2P2O9",
"formula_anonymous": "A2B2C9",
"energy_above_hull": 3.0058033615384616,
"spacegroup": 64
},
{
"id": "jvasp-26017",
"created_at": "2022-09-04T14:38:35.184401Z",
"updated_at": "2022-09-04T14:38:35.184432Z",
"structure_string": "Ba6 Er2 Ru4 O18\n1.0\n2.954868 -5.117982 -0.000000\n2.954868 5.117982 0.000000\n0.000000 0.000000 14.445867\nBa Er Ru O\n6 2 4 18\ndirect\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.250000 Ba\n0.333333 0.666667 0.093654 Ba\n0.666667 0.333333 0.593654 Ba\n0.666667 0.333333 0.906347 Ba\n0.333333 0.666667 0.406346 Ba\n0.000000 0.000000 0.000000 Er\n0.000000 0.000000 0.500000 Er\n0.333333 0.666667 0.664046 Ru\n0.666667 0.333333 0.164046 Ru\n0.666667 0.333333 0.335954 Ru\n0.333333 0.666667 0.835954 Ru\n0.648496 0.824248 0.912503 O\n0.351505 0.175753 0.412503 O\n0.824247 0.175753 0.087497 O\n0.824248 0.648496 0.412503 O\n0.824247 0.175753 0.412503 O\n0.175753 0.351505 0.587498 O\n0.648496 0.824248 0.587498 O\n0.351505 0.175753 0.087497 O\n0.981582 0.490792 0.250000 O\n0.175753 0.824247 0.587498 O\n0.509209 0.490791 0.250000 O\n0.490792 0.981582 0.750000 O\n0.018419 0.509209 0.750000 O\n0.175753 0.824247 0.912503 O\n0.509209 0.018419 0.250000 O\n0.490791 0.509209 0.750000 O\n0.824248 0.648496 0.087497 O\n0.175753 0.351505 0.912503 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Er",
"Ru",
"O"
],
"chemical_system": "Ba-Er-O-Ru",
"density": 7.0337385482263555,
"density_atomic": 0.0686611080870848,
"volume": 436.9285733336865,
"volume_molar": 8.770817902271475,
"formula_full": "Ba6 Er2 Ru4 O18",
"formula_reduced": "Ba3ErRu2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.427752694,
"spacegroup": 194
},
{
"id": "jvasp-11376",
"created_at": "2022-09-04T14:37:06.862267Z",
"updated_at": "2022-09-04T14:37:06.862294Z",
"structure_string": "K4 Ta2 Ag2 S8\n1.0\n5.741353 0.000000 1.503223\n2.870676 6.558094 0.751612\n0.027550 -0.000000 11.610542\nK Ta Ag S\n4 2 2 8\ndirect\n0.193412 0.250000 0.613175 K\n0.806588 0.750000 0.386825 K\n0.556588 0.250000 0.886825 K\n0.443413 0.750000 0.113175 K\n0.625000 0.750000 0.750000 Ta\n0.375000 0.250000 0.250000 Ta\n0.125001 0.750000 0.750000 Ag\n0.875000 0.250000 0.250000 Ag\n0.883932 0.539689 0.869124 S\n0.792745 0.960310 0.630875 S\n0.576380 0.539689 0.630876 S\n0.246945 0.960310 0.869124 S\n0.116068 0.460311 0.130876 S\n0.753056 0.039689 0.130876 S\n0.423621 0.460311 0.369124 S\n0.207255 0.039689 0.369124 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"Ta",
"Ag",
"S"
],
"chemical_system": "Ag-K-S-Ta",
"density": 3.764861300681306,
"density_atomic": 0.036622290092665155,
"volume": 436.8923942089721,
"volume_molar": 16.443921843123995,
"formula_full": "K4 Ta2 Ag2 S8",
"formula_reduced": "K2TaAgS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.6310265574999998,
"spacegroup": 70
},
{
"id": "jvasp-88736",
"created_at": "2022-09-04T14:35:55.571582Z",
"updated_at": "2022-09-04T14:35:55.571608Z",
"structure_string": "Ca4 Mg4 Si8 O24\n1.0\n9.772219 0.000000 -0.516764\n0.000000 8.296041 0.000000\n0.309195 0.000000 5.371853\nCa Mg Si O\n4 4 8 24\ndirect\n0.730051 0.445647 0.600516 Ca\n0.269950 0.945647 0.899484 Ca\n0.269950 0.554353 0.399484 Ca\n0.730051 0.054353 0.100516 Ca\n0.233840 0.333521 0.879080 Mg\n0.766161 0.833521 0.620920 Mg\n0.766160 0.666479 0.120920 Mg\n0.233840 0.166479 0.379080 Mg\n0.036805 0.847696 0.271090 Si\n0.963196 0.347696 0.228911 Si\n0.036805 0.652304 0.771089 Si\n0.963196 0.152304 0.728911 Si\n0.499742 0.669944 0.964188 Si\n0.499741 0.830056 0.464188 Si\n0.500259 0.330056 0.035812 Si\n0.500259 0.169944 0.535812 Si\n0.370452 0.310276 0.560996 O\n0.902159 0.271092 0.961225 O\n0.097842 0.771092 0.538775 O\n0.128574 0.352986 0.216545 O\n0.871426 0.852986 0.283456 O\n0.871426 0.647014 0.783455 O\n0.128575 0.147014 0.716545 O\n0.370452 0.189724 0.060996 O\n0.629549 0.689724 0.439005 O\n0.629549 0.810276 0.939004 O\n0.385876 0.490782 0.029005 O\n0.117975 0.010872 0.214943 O\n0.614124 0.509217 0.970995 O\n0.385876 0.009217 0.529005 O\n0.587494 0.273598 0.298382 O\n0.412507 0.773598 0.201619 O\n0.412507 0.726402 0.701619 O\n0.587494 0.226402 0.798381 O\n0.902158 0.228908 0.461225 O\n0.882026 0.510872 0.285058 O\n0.882026 0.989128 0.785057 O\n0.117975 0.489128 0.714942 O\n0.614124 0.990782 0.470995 O\n0.097842 0.728908 0.038775 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ca",
"Mg",
"Si",
"O"
],
"chemical_system": "Ca-Mg-O-Si",
"density": 3.292759466971724,
"density_atomic": 0.09156972698170464,
"volume": 436.82558983704166,
"volume_molar": 6.576562973921726,
"formula_full": "Ca4 Mg4 Si8 O24",
"formula_reduced": "CaMg(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.022734767,
"spacegroup": 14
},
{
"id": "jvasp-24425",
"created_at": "2022-09-04T14:38:31.833177Z",
"updated_at": "2022-09-04T14:38:31.833208Z",
"structure_string": "Rb4 Li2 V2 S8\n1.0\n5.610293 -0.000000 1.407999\n2.805147 6.529223 0.703999\n-0.010275 0.000000 11.922291\nRb Li V S\n4 2 2 8\ndirect\n0.446488 0.750000 0.107025 Rb\n0.196487 0.250000 0.607025 Rb\n0.553511 0.250000 0.892975 Rb\n0.803512 0.750000 0.392975 Rb\n0.125000 0.750000 0.750000 Li\n0.874999 0.250000 0.250000 Li\n0.625000 0.750000 0.750000 V\n0.375000 0.250000 0.250000 V\n0.197961 0.059288 0.356872 S\n0.802039 0.940712 0.643128 S\n0.445167 0.440712 0.356872 S\n0.257248 0.940712 0.856872 S\n0.554832 0.559288 0.643128 S\n0.885878 0.559288 0.856872 S\n0.742752 0.059288 0.143128 S\n0.114121 0.440712 0.143128 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"Li",
"V",
"S"
],
"chemical_system": "Li-Rb-S-V",
"density": 2.714823636173756,
"density_atomic": 0.0366285136641273,
"volume": 436.81816157530426,
"volume_molar": 16.441127847068163,
"formula_full": "Rb4 Li2 V2 S8",
"formula_reduced": "Rb2LiVS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.401391775,
"spacegroup": 70
},
{
"id": "jvasp-86757",
"created_at": "2022-09-04T14:36:07.645115Z",
"updated_at": "2022-09-04T14:36:07.645135Z",
"structure_string": "Tc4 Br12\n1.0\n11.284376 0.000000 0.000000\n0.000000 5.923023 -0.000000\n0.000000 -0.000000 6.533106\nTc Br\n4 12\ndirect\n0.250000 0.030197 0.239057 Tc\n0.250000 0.469803 0.239057 Tc\n0.750000 0.530197 0.760944 Tc\n0.750000 0.969802 0.760944 Tc\n0.750000 0.749999 0.093517 Br\n0.099506 0.749999 0.088913 Br\n0.400494 0.749999 0.088913 Br\n0.082568 0.249999 0.403895 Br\n0.417432 0.249999 0.403895 Br\n0.750000 0.249999 0.460197 Br\n0.250000 0.749999 0.539804 Br\n0.582568 0.749999 0.596105 Br\n0.917433 0.749999 0.596105 Br\n0.599506 0.249999 0.911088 Br\n0.900495 0.249999 0.911088 Br\n0.250000 0.249999 0.906484 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tc",
"Br"
],
"chemical_system": "Br-Tc",
"density": 5.137063205316981,
"density_atomic": 0.036642011804290636,
"volume": 436.6572470272078,
"volume_molar": 16.43507128419961,
"formula_full": "Tc4 Br12",
"formula_reduced": "TcBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.20344095375,
"spacegroup": 59
},
{
"id": "jvasp-13783",
"created_at": "2022-09-04T14:36:30.435790Z",
"updated_at": "2022-09-04T14:36:30.435819Z",
"structure_string": "Mg4 Sb8 O16\n1.0\n8.508015 0.000000 -0.000000\n-0.000000 8.508015 0.000000\n-0.000000 0.000000 6.031938\nMg Sb O\n4 8 16\ndirect\n0.500000 0.000000 0.250000 Mg\n0.000000 0.500000 0.750000 Mg\n0.500000 0.000000 0.750000 Mg\n0.000000 0.500000 0.250000 Mg\n0.172913 0.164137 0.500000 Sb\n0.827086 0.835863 0.500000 Sb\n0.835863 0.172913 0.000000 Sb\n0.664137 0.672913 0.000000 Sb\n0.672913 0.335863 0.500000 Sb\n0.327086 0.664137 0.500000 Sb\n0.335863 0.327086 0.000000 Sb\n0.164137 0.827086 0.000000 Sb\n0.676109 0.176110 0.250000 O\n0.823890 0.676109 0.250000 O\n0.323890 0.823890 0.750000 O\n0.323890 0.823890 0.250000 O\n0.823890 0.676109 0.750000 O\n0.176110 0.323890 0.750000 O\n0.401524 0.135798 0.500000 O\n0.098476 0.635798 0.500000 O\n0.635798 0.901523 0.000000 O\n0.864201 0.401524 0.000000 O\n0.135798 0.598476 0.000000 O\n0.901523 0.364202 0.500000 O\n0.176110 0.323890 0.250000 O\n0.364202 0.098476 0.000000 O\n0.598476 0.864201 0.500000 O\n0.676109 0.176110 0.750000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"O"
],
"chemical_system": "Mg-O-Sb",
"density": 5.047794754020347,
"density_atomic": 0.06412755304419783,
"volume": 436.6297897052444,
"volume_molar": 9.390878762907787,
"formula_full": "Mg4 Sb8 O16",
"formula_reduced": "Mg(SbO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6806321785714282,
"spacegroup": 135
},
{
"id": "jvasp-106920",
"created_at": "2022-09-04T14:36:55.155472Z",
"updated_at": "2022-09-04T14:36:55.155492Z",
"structure_string": "Na3 Y1 I6\n1.0\n7.374607 -0.000000 4.257731\n2.458202 6.952846 4.257731\n-0.000000 -0.000000 8.515463\nNa Y I\n3 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Y\n0.751937 0.248064 0.248063 I\n0.248063 0.248064 0.751936 I\n0.248063 0.751937 0.751936 I\n0.248063 0.751937 0.248063 I\n0.751937 0.248064 0.751936 I\n0.751937 0.751937 0.248063 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Y",
"I"
],
"chemical_system": "I-Na-Y",
"density": 3.4962101893566366,
"density_atomic": 0.02290288762741292,
"volume": 436.62616534129967,
"volume_molar": 26.2942422718434,
"formula_full": "Na3 Y1 I6",
"formula_reduced": "Na3YI6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-26741",
"created_at": "2022-09-04T14:38:18.217646Z",
"updated_at": "2022-09-04T14:38:18.217665Z",
"structure_string": "K8 P4 O16\n1.0\n0.000000 5.902257 0.022585\n10.201211 0.000000 0.000000\n0.000000 -1.200981 -7.256126\nK P O\n8 4 16\ndirect\n0.747689 0.915391 0.172858 K\n0.252312 0.415391 0.327143 K\n0.252312 0.084609 0.827143 K\n0.747689 0.584609 0.672858 K\n0.238663 0.769892 0.471988 K\n0.761337 0.269892 0.028012 K\n0.761337 0.230108 0.528013 K\n0.238664 0.730108 0.971989 K\n0.273632 0.423609 0.778064 P\n0.726369 0.576391 0.221937 P\n0.273632 0.076391 0.278064 P\n0.726369 0.923609 0.721937 P\n0.223574 0.946874 0.175678 O\n0.548154 0.659197 0.296866 O\n0.388187 0.461940 -0.000926 O\n0.611814 0.961940 0.500927 O\n0.936781 0.650300 0.182119 O\n0.548154 0.840803 0.796867 O\n0.063220 0.349700 0.817882 O\n0.451847 0.340803 0.703135 O\n0.223574 0.553126 0.675679 O\n0.388187 0.038060 0.499074 O\n0.611814 0.538060 0.000927 O\n0.776427 0.053126 0.824323 O\n0.936781 0.849700 0.682120 O\n0.451847 0.159197 0.203135 O\n0.063220 0.150300 0.317882 O\n0.776427 0.446874 0.324323 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"P",
"O"
],
"chemical_system": "K-O-P",
"density": 2.63437207186656,
"density_atomic": 0.06412959693741153,
"volume": 436.61587374901353,
"volume_molar": 9.390579463453387,
"formula_full": "K8 P4 O16",
"formula_reduced": "K2PO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4389293571428567,
"spacegroup": 14
}
]
}