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=-elements&page=526",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=524",
"results": [
{
"id": "jvasp-40367",
"created_at": "2022-09-04T14:37:44.955610Z",
"updated_at": "2022-09-04T14:37:44.955639Z",
"structure_string": "K4 P2 Pd1 S8\n1.0\n6.338644 0.003006 -0.000162\n0.645506 6.834620 -0.048477\n1.199241 0.185735 8.897435\nK P Pd S\n4 2 1 8\ndirect\n0.294953 0.336582 0.141494 K\n0.751726 0.213116 0.469489 K\n0.248274 0.786885 0.530512 K\n0.705046 0.663419 0.858506 K\n0.825699 0.727062 0.263269 P\n0.174300 0.272940 0.736732 P\n0.000000 0.000000 0.000000 Pd\n0.669367 0.957845 0.149607 S\n0.780004 0.466315 0.178688 S\n0.137310 0.806694 0.193226 S\n0.754802 0.736854 0.490739 S\n0.245197 0.263147 0.509262 S\n0.862689 0.193307 0.806774 S\n0.219996 0.533686 0.821312 S\n0.330632 0.042157 0.850394 S\n",
"nsites": 15,
"nelements": 4,
"elements": [
"K",
"P",
"Pd",
"S"
],
"chemical_system": "K-P-Pd-S",
"density": 2.503878981069988,
"density_atomic": 0.038910747559606995,
"volume": 385.4976051802049,
"volume_molar": 15.476805606920664,
"formula_full": "K4 P2 Pd1 S8",
"formula_reduced": "K4P2PdS8",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 1.5172105800000002,
"spacegroup": 2
},
{
"id": "jvasp-99191",
"created_at": "2022-09-04T14:36:35.661021Z",
"updated_at": "2022-09-04T14:36:35.661048Z",
"structure_string": "K4 P4 Pb4 S16\n1.0\n6.613306 0.000000 0.000000\n0.000000 6.643420 0.000000\n0.000000 0.000000 16.562063\nK P Pb S\n4 4 4 16\ndirect\n0.976434 0.250000 0.788767 K\n0.523567 0.250000 0.288767 K\n0.023567 0.750000 0.211233 K\n0.476434 0.750000 0.711232 K\n0.721967 0.750000 0.402617 P\n0.778034 0.750000 0.902617 P\n0.221967 0.250000 0.097383 P\n0.278033 0.250000 0.597383 P\n0.718410 0.250000 0.023527 Pb\n0.281591 0.750000 0.976473 Pb\n0.781591 0.250000 0.523527 Pb\n0.218410 0.750000 0.476473 Pb\n0.398798 0.002528 0.121800 S\n0.527660 0.250000 0.670697 S\n0.972341 0.250000 0.170697 S\n0.852145 0.750000 0.024336 S\n0.601203 0.502528 0.878200 S\n0.647856 0.750000 0.524336 S\n0.898798 0.502528 0.378200 S\n0.472340 0.750000 0.329303 S\n0.601203 0.997472 0.878200 S\n0.398798 0.497472 0.121800 S\n0.101202 0.497472 0.621800 S\n0.352145 0.250000 0.475664 S\n0.898798 0.997472 0.378200 S\n0.147855 0.250000 0.975664 S\n0.101202 0.002528 0.621800 S\n0.027660 0.750000 0.829302 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"P",
"Pb",
"S"
],
"chemical_system": "K-P-Pb-S",
"density": 3.701770794227264,
"density_atomic": 0.03847984121723573,
"volume": 727.653730220133,
"volume_molar": 15.65011852830252,
"formula_full": "K4 P4 Pb4 S16",
"formula_reduced": "KPPbS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.50277776,
"spacegroup": 62
},
{
"id": "jvasp-91475",
"created_at": "2022-09-04T14:36:05.896713Z",
"updated_at": "2022-09-04T14:36:05.896732Z",
"structure_string": "K4 P4 O8 F8\n1.0\n6.338510 -0.000000 0.000000\n0.000000 7.542972 0.000000\n0.000000 0.000000 7.643453\nK P O F\n4 4 8 8\ndirect\n0.250000 0.142839 0.137033 K\n0.750000 0.642839 0.362967 K\n0.250000 0.357161 0.637033 K\n0.750000 0.857161 0.862966 K\n0.250000 0.814573 0.610882 P\n0.750000 0.185427 0.389117 P\n0.750000 0.314572 0.889117 P\n0.250000 0.685427 0.110882 P\n0.544532 0.220256 0.888386 O\n0.044532 0.779744 0.111614 O\n0.955468 0.220256 0.888386 O\n0.455468 0.779744 0.111614 O\n0.455468 0.720256 0.611614 O\n0.544532 0.279744 0.388386 O\n0.955468 0.279744 0.388386 O\n0.044532 0.720256 0.611614 O\n0.750000 0.457035 0.043985 F\n0.750000 0.045008 0.233057 F\n0.750000 0.454992 0.733057 F\n0.750000 0.042965 0.543985 F\n0.250000 0.954992 0.766943 F\n0.250000 0.545008 0.266943 F\n0.250000 0.957035 0.456015 F\n0.250000 0.542965 0.956015 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"P",
"O",
"F"
],
"chemical_system": "F-K-O-P",
"density": 2.545820113144976,
"density_atomic": 0.06567377290459561,
"volume": 365.4426864566596,
"volume_molar": 9.16978040647729,
"formula_full": "K4 P4 O8 F8",
"formula_reduced": "KP(OF)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.7839851775000001,
"spacegroup": 62
},
{
"id": "jvasp-51669",
"created_at": "2022-09-04T14:38:34.187785Z",
"updated_at": "2022-09-04T14:38:34.187814Z",
"structure_string": "K2 P2 H4 O4\n1.0\n3.304453 3.580664 -1.653750\n-3.304453 3.580664 1.653750\n-0.131228 0.000000 7.096189\nK P H O\n2 2 4 4\ndirect\n0.358049 0.358050 0.750000 K\n0.641949 0.641950 0.250000 K\n0.827860 0.827860 0.750000 P\n0.172139 0.172139 0.250000 P\n0.822607 0.083597 0.586938 H\n0.083596 0.822608 0.913062 H\n0.177392 0.916402 0.413062 H\n0.916402 0.177392 0.086938 H\n0.844062 0.591144 0.670228 O\n0.591143 0.844063 0.829772 O\n0.155936 0.408855 0.329772 O\n0.408855 0.155936 0.170228 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"P",
"H",
"O"
],
"chemical_system": "H-K-O-P",
"density": 2.0777546130961926,
"density_atomic": 0.07212751888686462,
"volume": 166.372005930532,
"volume_molar": 8.349296985310154,
"formula_full": "K2 P2 H4 O4",
"formula_reduced": "KP(HO)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.985868416666667,
"spacegroup": 15
},
{
"id": "jvasp-52867",
"created_at": "2022-09-04T14:37:00.696623Z",
"updated_at": "2022-09-04T14:37:00.696647Z",
"structure_string": "K2 P2 H4 O8\n1.0\n-3.699463 3.699463 3.469996\n3.699463 -3.699463 3.469996\n3.699463 3.699463 -3.469996\nK P H O\n2 2 4 8\ndirect\n0.250000 0.750000 0.500000 K\n0.500001 0.500001 0.000000 K\n0.750000 0.250000 0.500000 P\n0.000000 0.000000 0.000000 P\n0.724690 0.125001 0.099690 H\n0.025310 0.624999 0.900309 H\n0.375000 0.275310 0.400310 H\n0.875001 0.974691 0.599690 H\n0.727155 0.290706 0.263658 O\n0.722953 0.959295 0.936449 O\n0.027047 0.463496 0.736342 O\n0.022846 0.786503 0.063551 O\n0.536503 0.272845 0.563550 O\n0.040705 0.977154 0.763657 O\n0.709295 0.972953 0.436449 O\n0.213497 0.277047 0.236342 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"P",
"H",
"O"
],
"chemical_system": "H-K-O-P",
"density": 2.379165966743334,
"density_atomic": 0.08422744775095166,
"volume": 189.9618286821379,
"volume_molar": 7.149855445942749,
"formula_full": "K2 P2 H4 O8",
"formula_reduced": "KP(HO2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.2147371875,
"spacegroup": 122
},
{
"id": "jvasp-23988",
"created_at": "2022-09-04T14:37:38.727011Z",
"updated_at": "2022-09-04T14:37:38.727032Z",
"structure_string": "K2 P2 H4 O8\n1.0\n6.031160 -0.018319 -1.917538\n-3.230934 5.092770 -1.917538\n-0.001843 -0.003341 6.291257\nK P H O\n2 2 4 8\ndirect\n0.750853 0.750853 -0.000001 K\n0.500853 0.000853 0.500000 K\n0.234563 0.234562 -0.000000 P\n0.984563 0.484562 0.500000 P\n0.967672 0.398177 0.124014 H\n0.274164 0.843658 0.875986 H\n0.148178 0.217672 0.624014 H\n0.593658 0.524163 0.375986 H\n0.786545 0.520258 0.571120 O\n0.949137 0.215425 0.428880 O\n0.270258 0.036545 0.071120 O\n0.965425 0.199137 0.928880 O\n0.273141 0.702989 0.732163 O\n0.970828 0.540977 0.267837 O\n0.452989 0.523140 0.232162 O\n0.290978 0.220827 0.767838 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"P",
"H",
"O"
],
"chemical_system": "H-K-O-P",
"density": 2.344286817714055,
"density_atomic": 0.08299265297684745,
"volume": 192.78814962649207,
"volume_molar": 7.25623358694173,
"formula_full": "K2 P2 H4 O8",
"formula_reduced": "KP(HO2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.2137196875,
"spacegroup": 43
},
{
"id": "jvasp-97953",
"created_at": "2022-09-04T14:35:43.116032Z",
"updated_at": "2022-09-04T14:35:43.116054Z",
"structure_string": "K8 P8 H8 O28\n1.0\n8.004307 -0.000688 -0.790269\n0.066645 8.084261 -1.066224\n-0.021036 -0.010180 11.188367\nK P H O\n8 8 8 28\ndirect\n0.747805 0.297405 0.945862 K\n0.252195 0.702595 0.054138 K\n0.287426 0.121869 0.929215 K\n0.712575 0.878131 0.070785 K\n0.388744 0.297629 0.567299 K\n0.611256 0.702371 0.432702 K\n0.175317 0.781647 0.548418 K\n0.824683 0.218353 0.451583 K\n0.524526 0.287834 0.217723 P\n0.475474 0.712166 0.782278 P\n0.215156 0.459438 0.286719 P\n0.784845 0.540562 0.713282 P\n0.375825 0.994115 0.297186 P\n0.945721 0.860633 0.804288 P\n0.624175 0.005885 0.702814 P\n0.054279 0.139367 0.195713 P\n0.923142 0.884612 0.333903 H\n0.975211 0.701269 0.318817 H\n0.024789 0.298731 0.681184 H\n0.076859 0.115388 0.666098 H\n0.096881 0.439841 0.862649 H\n0.733245 0.519091 0.178788 H\n0.266756 0.480908 0.821212 H\n0.903120 0.560159 0.137352 H\n0.896719 0.423689 0.777771 O\n0.781953 0.565519 0.112624 O\n0.218047 0.434481 0.887377 O\n0.348427 0.388190 0.192016 O\n0.651574 0.611809 0.807985 O\n0.479405 0.170109 0.316959 O\n0.520595 0.829890 0.683041 O\n0.553459 0.187966 0.099692 O\n0.446542 0.812033 0.900308 O\n0.653536 0.405645 0.283656 O\n0.346464 0.594354 0.716345 O\n0.103281 0.576311 0.222230 O\n0.300517 0.518612 0.409118 O\n0.227338 0.029268 0.191701 O\n0.111418 0.293964 0.300157 O\n0.888582 0.706036 0.699844 O\n0.019393 0.193208 0.073522 O\n0.980608 0.806792 0.926478 O\n0.925017 0.048442 0.248216 O\n0.074983 0.951558 0.751785 O\n0.479551 0.858226 0.238208 O\n0.520450 0.141774 0.761793 O\n0.311072 0.983103 0.416067 O\n0.688928 0.016897 0.583934 O\n0.083279 0.216617 0.626635 O\n0.772663 0.970732 0.808299 O\n0.699483 0.481388 0.590883 O\n0.916721 0.783382 0.373365 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"K",
"P",
"H",
"O"
],
"chemical_system": "H-K-O-P",
"density": 2.332440037545095,
"density_atomic": 0.07184635017335053,
"volume": 723.766758847661,
"volume_molar": 8.381971729210749,
"formula_full": "K8 P8 H8 O28",
"formula_reduced": "K2P2H2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.309973961538461,
"spacegroup": 2
},
{
"id": "jvasp-98155",
"created_at": "2022-09-04T14:36:17.623837Z",
"updated_at": "2022-09-04T14:36:17.623858Z",
"structure_string": "K8 P8 H12 O30\n1.0\n7.660316 3.442893 -4.642139\n-7.660316 3.442893 4.642139\n-0.092702 0.000000 14.179173\nK P H O\n8 8 12 30\ndirect\n0.817771 0.366296 0.873577 K\n0.366297 0.817771 0.626423 K\n0.182228 0.633703 0.126423 K\n0.633703 0.182228 0.373577 K\n0.193727 0.232728 0.099858 K\n0.232728 0.193727 0.400142 K\n0.806272 0.767271 0.900142 K\n0.767272 0.806272 0.599858 K\n0.606266 0.271605 0.092762 P\n0.271606 0.606266 0.407238 P\n0.393733 0.728394 0.907238 P\n0.728394 0.393733 0.592762 P\n0.044236 0.764058 0.281934 P\n0.235941 0.955763 0.781934 P\n0.955763 0.235941 0.718065 P\n0.764058 0.044236 0.218065 P\n0.376274 0.090115 0.962369 H\n0.528109 0.629442 0.212528 H\n0.629442 0.528109 0.287472 H\n0.471890 0.370557 0.787472 H\n0.370557 0.471890 0.712527 H\n0.090115 0.376273 0.537631 H\n0.909884 0.623726 0.462369 H\n0.608443 0.782022 0.354976 H\n0.782022 0.608442 0.145024 H\n0.391557 0.217977 0.645024 H\n0.217977 0.391557 0.854976 H\n0.623726 0.909884 0.037631 H\n0.672395 0.144877 0.206495 O\n0.626381 0.412278 0.635244 O\n0.412279 0.626380 0.864756 O\n0.373619 0.587721 0.364756 O\n0.587721 0.373618 0.135244 O\n0.583687 0.234539 0.521905 O\n0.765460 0.416312 0.021905 O\n0.416312 0.765460 0.478095 O\n0.915037 0.625037 0.536619 O\n0.625037 0.915037 0.963381 O\n0.084962 0.374962 0.463381 O\n0.374963 0.084962 0.036619 O\n0.234539 0.583687 0.978095 O\n0.144877 0.672395 0.293505 O\n0.079157 0.238082 0.844200 O\n0.855122 0.327604 0.706495 O\n0.986848 0.217461 0.200662 O\n0.217461 0.986848 0.299338 O\n0.013151 0.782538 0.799338 O\n0.782539 0.013151 0.700662 O\n0.598912 0.885319 0.143177 O\n0.885319 0.598912 0.356823 O\n0.401087 0.114680 0.856823 O\n0.114681 0.401087 0.643177 O\n0.761917 0.920842 0.344200 O\n0.920842 0.761917 0.155800 O\n0.238083 0.079157 0.655800 O\n0.509705 0.509704 0.750000 O\n0.327604 0.855122 0.793505 O\n0.490295 0.490294 0.250000 O\n",
"nsites": 58,
"nelements": 4,
"elements": [
"K",
"P",
"H",
"O"
],
"chemical_system": "H-K-O-P",
"density": 2.3464300688109674,
"density_atomic": 0.07785759041822331,
"volume": 744.9498461029248,
"volume_molar": 7.734815228227846,
"formula_full": "K8 P8 H12 O30",
"formula_reduced": "K4P4(H2O5)3",
"formula_anonymous": "A4B4C6D15",
"energy_above_hull": 2.581257120689654,
"spacegroup": 15
},
{
"id": "jvasp-98637",
"created_at": "2022-09-04T14:36:20.046298Z",
"updated_at": "2022-09-04T14:36:20.046318Z",
"structure_string": "K8 P8 H8 O28\n1.0\n11.259768 0.062741 1.105393\n1.098459 7.699045 0.331774\n0.015304 0.145022 8.283445\nK P H O\n8 8 8 28\ndirect\n0.930068 0.383603 0.710326 K\n0.069932 0.616396 0.289673 K\n0.049828 0.817139 0.756489 K\n0.950172 0.182860 0.243510 K\n0.560841 0.210516 0.570728 K\n0.439159 0.789483 0.429270 K\n0.566407 0.651252 0.815006 K\n0.433594 0.348747 0.184993 K\n0.700844 0.978752 0.207016 P\n0.299156 0.021247 0.792982 P\n0.715918 0.490058 0.377469 P\n0.284082 0.509941 0.622530 P\n0.780929 0.804964 0.517263 P\n0.187455 0.352379 0.940318 P\n0.219071 0.195035 0.482735 P\n0.812545 0.647620 0.059680 P\n0.460697 0.835814 0.103136 H\n0.349185 0.775437 0.038147 H\n0.650816 0.224562 0.961852 H\n0.539303 0.164185 0.896863 H\n0.838410 0.077589 0.908898 H\n0.194631 0.972227 0.259480 H\n0.805370 0.027772 0.740519 H\n0.161590 0.922410 0.091100 H\n0.070361 0.284579 0.967358 O\n0.132123 0.925016 0.207330 O\n0.867877 0.074983 0.792669 O\n0.756972 0.113032 0.100092 O\n0.243028 0.886967 0.899907 O\n0.575037 0.024979 0.282883 O\n0.424963 0.975020 0.717116 O\n0.596704 0.479005 0.319323 O\n0.403296 0.520994 0.680676 O\n0.775403 0.344423 0.480450 O\n0.224597 0.655577 0.519548 O\n0.929640 0.715420 0.032640 O\n0.769422 0.545343 0.937128 O\n0.691202 0.669916 0.479411 O\n0.903317 0.712636 0.544907 O\n0.096683 0.287363 0.455092 O\n0.709550 0.918747 0.642393 O\n0.290450 0.081252 0.357605 O\n0.795191 0.914830 0.342733 O\n0.204809 0.085169 0.657266 O\n0.701425 0.803986 0.108320 O\n0.298575 0.196013 0.891679 O\n0.817609 0.533493 0.234480 O\n0.182391 0.466506 0.765519 O\n0.579127 0.266409 0.902565 O\n0.308798 0.330083 0.520588 O\n0.230578 0.454656 0.062870 O\n0.420873 0.733590 0.097433 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"K",
"P",
"H",
"O"
],
"chemical_system": "H-K-O-P",
"density": 2.3543840368040594,
"density_atomic": 0.0725222930613069,
"volume": 717.0209021940559,
"volume_molar": 8.303847693989995,
"formula_full": "K8 P8 H8 O28",
"formula_reduced": "K2P2H2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.310743192307692,
"spacegroup": 2
},
{
"id": "jvasp-112492",
"created_at": "2022-09-04T14:38:40.712067Z",
"updated_at": "2022-09-04T14:38:40.712088Z",
"structure_string": "K2 P2 H4 O8\n1.0\n7.674986 -0.148438 0.000000\n-5.288816 5.563800 0.000000\n-0.000000 -0.000000 4.542016\nK P H O\n2 2 4 8\ndirect\n0.868752 0.131247 0.250000 K\n0.131247 0.868752 0.750001 K\n0.628399 0.371601 0.250000 P\n0.371601 0.628399 0.750001 P\n0.314763 0.314763 -0.000000 H\n0.685237 0.685237 0.500000 H\n0.689669 0.310331 0.750001 H\n0.310331 0.689669 0.250000 H\n0.360081 0.227493 0.163886 O\n0.227493 0.360081 0.836115 O\n0.639919 0.772506 0.663886 O\n0.772507 0.639919 0.336115 O\n0.612243 0.227745 0.506938 O\n0.227744 0.612243 0.493063 O\n0.387757 0.772255 0.006937 O\n0.772255 0.387757 0.993064 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"P",
"H",
"O"
],
"chemical_system": "H-K-O-P",
"density": 2.3738428248649637,
"density_atomic": 0.08403899740293116,
"volume": 190.38780202584786,
"volume_molar": 7.165888392416681,
"formula_full": "K2 P2 H4 O8",
"formula_reduced": "KP(HO2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.2155409375,
"spacegroup": 20
},
{
"id": "jvasp-42082",
"created_at": "2022-09-04T14:37:39.515515Z",
"updated_at": "2022-09-04T14:37:39.515537Z",
"structure_string": "K2 P2 Au2 Se6\n1.0\n-6.069460 -3.638826 0.027270\n-6.069460 3.638826 0.027270\n3.434581 0.000000 -7.422577\nK P Au Se\n2 2 2 6\ndirect\n0.301709 0.301709 0.253322 K\n0.698291 0.698291 0.746678 K\n0.977405 0.977405 0.350039 P\n0.022595 0.022595 0.649961 P\n0.738850 0.261152 -0.000000 Au\n0.261152 0.738850 -0.000000 Au\n0.781941 0.781941 0.194774 Se\n0.824545 0.332477 0.328600 Se\n0.332477 0.824545 0.328600 Se\n0.667523 0.175455 0.671401 Se\n0.175455 0.667523 0.671401 Se\n0.218060 0.218060 0.805226 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"P",
"Au",
"Se"
],
"chemical_system": "Au-K-P-Se",
"density": 5.115019526931388,
"density_atomic": 0.03667659701033092,
"volume": 327.18411679851016,
"volume_molar": 16.419573381640905,
"formula_full": "K2 P2 Au2 Se6",
"formula_reduced": "KPAuSe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.150550195,
"spacegroup": 12
},
{
"id": "jvasp-38599",
"created_at": "2022-09-04T14:38:33.204609Z",
"updated_at": "2022-09-04T14:38:33.204640Z",
"structure_string": "K2 P4 Au2 S14\n1.0\n3.932615 4.603190 -0.038080\n-3.932614 4.603190 0.038078\n-0.618569 -0.000002 14.994323\nK P Au S\n2 4 2 14\ndirect\n0.245422 0.245422 0.750000 K\n0.754578 0.754578 0.250000 K\n0.647965 0.684449 0.638136 P\n0.684449 0.647966 0.861864 P\n0.352034 0.315551 0.361864 P\n0.315551 0.352035 0.138136 P\n0.000001 0.499999 0.500000 Au\n0.499999 0.000000 0.000000 Au\n0.155979 0.230759 0.029744 S\n0.230759 0.155979 0.470256 S\n0.844021 0.769242 0.970256 S\n0.769242 0.844022 0.529744 S\n0.643567 0.206740 0.115131 S\n0.206740 0.643568 0.384869 S\n0.730500 0.323781 0.845120 S\n0.793260 0.356432 0.615131 S\n0.269500 0.676219 0.154880 S\n0.815211 0.815212 0.750000 S\n0.676220 0.269500 0.345120 S\n0.323781 0.730500 0.654880 S\n0.356432 0.793261 0.884869 S\n0.184788 0.184789 0.250000 S\n",
"nsites": 22,
"nelements": 4,
"elements": [
"K",
"P",
"Au",
"S"
],
"chemical_system": "Au-K-P-S",
"density": 3.1975302700920323,
"density_atomic": 0.04054142976011605,
"volume": 542.6547640321066,
"volume_molar": 14.854288059481506,
"formula_full": "K2 P4 Au2 S14",
"formula_reduced": "KP2AuS7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.020158779090909,
"spacegroup": 15
}
]
}