{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=4589","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=4587","results":[{"id":"jvasp-112043","created_at":"2022-09-04T14:38:43.383871Z","updated_at":"2022-09-04T14:38:43.383896Z","structure_string":"Sn1 H22 C12 O6\n1.0\n5.084717 0.105081 -0.433346\n0.214683 6.243026 0.968398\n-1.254071 0.045518 11.396652\nSn H C O\n1 22 12 6\ndirect\n0.677309 0.594035 0.091253 Sn\n0.111154 0.854968 0.413691 H\n0.116434 0.584844 0.229476 H\n0.155945 0.987338 0.540407 H\n0.516584 0.193806 0.461485 H\n0.192950 0.249043 0.368871 H\n0.299036 0.003191 0.234672 H\n0.627931 0.935721 0.321737 H\n0.134810 0.025085 0.724080 H\n-0.166031 0.175228 0.649833 H\n0.316151 0.330952 0.590398 H\n0.942401 0.580180 0.936294 H\n0.602691 0.545065 0.711929 H\n0.341501 0.734370 0.708268 H\n0.140606 0.208926 0.973773 H\n0.935595 0.029082 0.036161 H\n0.692608 0.192174 0.840905 H\n0.771448 0.921007 0.830387 H\n0.307843 0.330070 0.816503 H\n-0.000929 0.480309 0.767318 H\n0.043498 0.526345 0.557916 H\n0.667124 0.849847 0.572922 H\n0.547988 0.659052 0.481989 H\n0.857584 0.075643 0.840220 C\n0.488751 0.763737 0.542841 C\n0.130621 0.359709 0.742552 C\n0.419749 0.627118 0.653407 C\n0.048083 0.057960 0.962824 C\n0.220049 0.457699 0.627367 C\n0.357735 0.124051 0.402380 C\n0.464665 0.062752 0.295018 C\n0.260349 0.929677 0.474563 C\n0.560493 0.249188 0.222495 C\n0.266004 0.880560 0.992790 C\n-0.010884 0.152248 0.733240 C\n0.412475 0.431795 0.193478 O\n0.761638 0.530680 0.939585 O\n0.963942 0.692835 0.210420 O\n0.242320 0.696515 0.961901 O\n0.490450 0.911371 0.061845 O\n0.778415 0.244114 0.185287 O\n","nsites":41,"nelements":4,"elements":["Sn","H","C","O"],"chemical_system":"C-H-O-Sn","density":1.7684032093635584,"density_atomic":0.11459885331121891,"volume":357.76972295399236,"volume_molar":5.254974710475963,"formula_full":"Sn1 H22 C12 O6","formula_reduced":"SnH22(C2O)6","formula_anonymous":"AB6C12D22","energy_above_hull":4.545990309756098,"spacegroup":1},{"id":"jvasp-22927","created_at":"2022-09-04T14:37:32.463969Z","updated_at":"2022-09-04T14:37:32.463992Z","structure_string":"Ca10 P6 Se1 O24\n1.0\n4.763639 -8.250864 0.000000\n4.763639 8.250864 -0.000000\n-0.000000 -0.000000 6.853585\nCa P Se O\n10 6 1 24\ndirect\n0.247993 0.262297 0.751316 Ca\n0.985697 0.247993 0.248685 Ca\n0.262297 0.014304 0.248685 Ca\n0.752007 0.737703 0.248685 Ca\n0.014304 0.752007 0.751316 Ca\n0.666667 0.333333 0.511642 Ca\n0.333333 0.666667 0.488359 Ca\n0.666667 0.333333 0.019929 Ca\n0.333333 0.666667 0.980071 Ca\n0.737703 0.985697 0.751316 Ca\n0.600367 0.971743 0.249223 P\n0.628624 0.600367 0.750778 P\n0.971743 0.371377 0.750778 P\n0.371376 0.399633 0.249223 P\n0.028257 0.628624 0.249223 P\n0.399633 0.028257 0.750778 P\n0.000000 0.000000 0.500000 Se\n0.764623 0.694801 0.903264 O\n0.291842 0.390672 0.448704 O\n0.390672 0.098830 0.551296 O\n0.901170 0.291842 0.551296 O\n0.708158 0.609328 0.551296 O\n0.694802 0.930178 0.096737 O\n0.069823 0.764623 0.096737 O\n0.235377 0.305199 0.096737 O\n0.305199 0.069823 0.903264 O\n0.930177 0.235378 0.903264 O\n0.416370 0.885062 0.197120 O\n0.483361 0.324999 0.254708 O\n0.468692 0.583631 0.197120 O\n0.583630 0.114939 0.802881 O\n0.885062 0.468692 0.802881 O\n0.531308 0.416370 0.802881 O\n0.675002 0.158363 0.254708 O\n0.841637 0.516639 0.254708 O\n0.098830 0.708158 0.448704 O\n0.324999 0.841637 0.745292 O\n0.158363 0.483361 0.745292 O\n0.516639 0.675002 0.745292 O\n0.114939 0.531308 0.197120 O\n0.609328 0.901170 0.448704 O\n","nsites":41,"nelements":4,"elements":["Ca","P","Se","O"],"chemical_system":"Ca-O-P-Se","density":3.234995492736705,"density_atomic":0.07610230077558938,"volume":538.7484948832347,"volume_molar":7.913217732743852,"formula_full":"Ca10 P6 Se1 O24","formula_reduced":"Ca10P6SeO24","formula_anonymous":"AB6C10D24","energy_above_hull":2.229245477235773,"spacegroup":147},{"id":"jvasp-98354","created_at":"2022-09-04T14:35:44.029909Z","updated_at":"2022-09-04T14:35:44.029933Z","structure_string":"Ba9 Y2 Si6 O24\n1.0\n5.040557 2.910164 7.441032\n-5.040586 2.910168 7.441050\n-0.000011 -5.820370 7.441056\nBa Y Si O\n9 2 6 24\ndirect\n0.000000 0.000000 0.000000 Ba\n0.662362 0.662365 0.662357 Ba\n0.337637 0.337635 0.337643 Ba\n0.248991 0.559013 0.860956 Ba\n0.559012 0.860957 0.248989 Ba\n0.860954 0.248992 0.559013 Ba\n0.751008 0.440987 0.139044 Ba\n0.440988 0.139043 0.751011 Ba\n0.139046 0.751009 0.440987 Ba\n0.835481 0.835480 0.835481 Y\n0.164518 0.164520 0.164520 Y\n0.410978 0.754468 0.053985 Si\n0.053986 0.410979 0.754468 Si\n0.754468 0.053983 0.410981 Si\n0.589022 0.245533 0.946015 Si\n0.946014 0.589021 0.245532 Si\n0.245532 0.946017 0.589020 Si\n0.429262 0.618065 0.231781 O\n0.768217 0.570737 0.381929 O\n0.381931 0.768221 0.570736 O\n0.570738 0.381935 0.768220 O\n0.094508 0.281365 0.930143 O\n0.930145 0.094507 0.281371 O\n0.281369 0.930143 0.094512 O\n0.905492 0.718635 0.069857 O\n0.069855 0.905493 0.718629 O\n0.718630 0.069857 0.905488 O\n0.595825 0.784898 0.951369 O\n0.708177 0.940633 0.359569 O\n0.784898 0.951362 0.595826 O\n0.404175 0.215102 0.048632 O\n0.048632 0.404178 0.215096 O\n0.215101 0.048638 0.404175 O\n0.359566 0.708185 0.940632 O\n0.940633 0.359576 0.708172 O\n0.618069 0.231779 0.429264 O\n0.640434 0.291816 0.059369 O\n0.059366 0.640424 0.291828 O\n0.291823 0.059367 0.640432 O\n0.951368 0.595823 0.784905 O\n0.231783 0.429264 0.618071 O\n","nsites":41,"nelements":4,"elements":["Ba","Y","Si","O"],"chemical_system":"Ba-O-Si-Y","density":4.9854445470942945,"density_atomic":0.06260358224396706,"volume":654.9145996186354,"volume_molar":9.619482694347473,"formula_full":"Ba9 Y2 Si6 O24","formula_reduced":"Ba9Y2(SiO4)6","formula_anonymous":"A2B6C9D24","energy_above_hull":2.4619948836585364,"spacegroup":148},{"id":"jvasp-22908","created_at":"2022-09-04T14:38:05.601756Z","updated_at":"2022-09-04T14:38:05.601795Z","structure_string":"Sr10 P6 S1 O24\n1.0\n4.928442 -8.536311 -0.000000\n4.928442 8.536311 0.000000\n-0.000000 0.000000 7.234360\nSr P S O\n10 6 1 24\ndirect\n0.243536 0.985941 0.742321 Sr\n0.014059 0.257596 0.742321 Sr\n0.742404 0.756464 0.742321 Sr\n0.985941 0.742404 0.257679 Sr\n0.756464 0.014059 0.257679 Sr\n0.257596 0.243536 0.257679 Sr\n0.333333 0.666667 0.481017 Sr\n0.666667 0.333333 0.518983 Sr\n0.333333 0.666667 0.978880 Sr\n0.666667 0.333333 0.021120 Sr\n0.601314 0.630342 0.247257 P\n0.029028 0.398685 0.247257 P\n0.630342 0.029028 0.752743 P\n0.970971 0.601314 0.752743 P\n0.398685 0.369657 0.752743 P\n0.369657 0.970972 0.247257 P\n0.000000 0.000000 0.500000 S\n0.577702 0.465198 0.794611 O\n0.520119 0.848947 0.738755 O\n0.689542 0.754849 0.094363 O\n0.151052 0.671172 0.738755 O\n0.479880 0.151052 0.261245 O\n0.671172 0.520119 0.261245 O\n0.848947 0.328828 0.261245 O\n0.422297 0.534801 0.205389 O\n0.465198 0.887496 0.205389 O\n0.887496 0.422297 0.794611 O\n0.534801 0.112504 0.794611 O\n0.900308 0.618584 0.568695 O\n0.934693 0.689542 0.905637 O\n0.310458 0.245151 0.905637 O\n0.754849 0.065307 0.905637 O\n0.099692 0.381416 0.431305 O\n0.618584 0.718276 0.431305 O\n0.281724 0.900308 0.431305 O\n0.112504 0.577702 0.205389 O\n0.381416 0.281724 0.568695 O\n0.718276 0.099692 0.568695 O\n0.328828 0.479880 0.738755 O\n0.065307 0.310458 0.094363 O\n0.245151 0.934693 0.094363 O\n","nsites":41,"nelements":4,"elements":["Sr","P","S","O"],"chemical_system":"O-P-S-Sr","density":4.032189337818247,"density_atomic":0.06735562422582318,"volume":608.7093761099936,"volume_molar":8.940813524063811,"formula_full":"Sr10 P6 S1 O24","formula_reduced":"Sr10P6SO24","formula_anonymous":"AB6C10D24","energy_above_hull":2.204173173170732,"spacegroup":147},{"id":"jvasp-32062","created_at":"2022-09-04T14:38:04.270290Z","updated_at":"2022-09-04T14:38:04.270315Z","structure_string":"Zn2 B16 H16 N8\n1.0\n6.948853 -0.000000 -0.000000\n-0.000000 6.948853 -0.000000\n-0.000000 -0.000000 9.375213\nZn B H N\n2 16 16 8\ndirect\n0.250000 0.750000 0.750000 Zn\n0.750000 0.250000 0.250000 Zn\n0.250000 0.624906 0.389819 B\n0.250000 0.875094 0.389819 B\n0.624906 0.250000 0.889819 B\n0.875094 0.250000 0.889819 B\n0.750000 0.375094 0.610181 B\n0.375094 0.750000 0.110181 B\n0.124906 0.750000 0.110181 B\n0.750000 0.124906 0.610181 B\n0.250000 0.927008 0.206332 B\n0.572991 0.250000 0.706332 B\n0.927008 0.250000 0.706332 B\n0.750000 0.427008 0.793667 B\n0.750000 0.072992 0.793667 B\n0.427008 0.750000 0.293667 B\n0.072992 0.750000 0.293667 B\n0.250000 0.572991 0.206332 B\n0.492354 0.750000 0.017319 H\n0.250000 0.507646 0.482681 H\n0.250000 -0.007646 0.482681 H\n0.507646 0.250000 0.982680 H\n-0.007646 0.250000 0.982680 H\n0.750000 0.492354 0.517319 H\n0.750000 0.007646 0.517319 H\n0.007646 0.750000 0.017319 H\n0.750000 0.901362 0.805556 H\n0.250000 0.098637 0.194444 H\n0.401363 0.250000 0.694444 H\n0.098637 0.250000 0.694444 H\n0.750000 0.598637 0.805556 H\n0.598637 0.750000 0.305556 H\n0.901362 0.750000 0.305556 H\n0.250000 0.401363 0.194444 H\n0.250000 0.512919 0.874239 N\n0.487081 0.750000 0.625760 N\n0.012919 0.750000 0.625760 N\n0.750000 0.487081 0.125761 N\n0.750000 0.012919 0.125761 N\n0.512919 0.250000 0.374239 N\n0.987081 0.250000 0.374239 N\n0.250000 0.987081 0.874239 N\n","nsites":42,"nelements":4,"elements":["Zn","B","H","N"],"chemical_system":"B-H-N-Zn","density":1.5845281404419542,"density_atomic":0.09277733598788207,"volume":452.69676643319167,"volume_molar":6.49096106918458,"formula_full":"Zn2 B16 H16 N8","formula_reduced":"ZnB8(H2N)4","formula_anonymous":"AB4C8D8","energy_above_hull":4.5981920984126985,"spacegroup":137},{"id":"jvasp-22898","created_at":"2022-09-04T14:38:20.414694Z","updated_at":"2022-09-04T14:38:20.414713Z","structure_string":"Yb22 Sb20\n1.0\n10.320851 -0.000000 -5.881950\n-3.352179 9.761294 -5.881950\n0.015565 0.021802 12.023104\nYb Sb\n22 20\ndirect\n0.265308 0.603059 0.206118 Yb\n0.603059 0.940808 0.206118 Yb\n0.603059 0.265308 0.206118 Yb\n0.734692 0.396941 0.793881 Yb\n0.059191 0.396941 0.793881 Yb\n0.396941 0.734691 0.793881 Yb\n0.663077 0.663076 0.326154 Yb\n0.336923 0.336923 0.673845 Yb\n0.834431 0.834431 -0.000000 Yb\n0.165568 0.834431 -0.000000 Yb\n0.834431 0.165569 -0.000000 Yb\n0.165569 0.165569 -0.000000 Yb\n0.189366 0.937931 0.378732 Yb\n0.559199 0.810634 0.621267 Yb\n0.062069 0.810634 0.621267 Yb\n0.810634 0.062069 0.621267 Yb\n0.810634 0.559198 0.621267 Yb\n0.440801 0.189366 0.378732 Yb\n0.940809 0.603059 0.206118 Yb\n0.396941 0.059191 0.793882 Yb\n0.189366 0.440801 0.378732 Yb\n0.937931 0.189366 0.378732 Yb\n0.349594 0.000000 -0.000000 Sb\n0.469163 0.469162 0.350699 Sb\n0.881536 0.881536 0.350699 Sb\n0.469163 0.881536 0.350699 Sb\n0.881536 0.469162 0.350699 Sb\n0.530837 0.118463 0.649301 Sb\n0.118464 0.530837 0.649300 Sb\n0.530837 0.530837 0.649300 Sb\n0.750000 0.250000 0.500000 Sb\n0.250000 0.750000 0.500000 Sb\n0.371865 0.628135 -0.000000 Sb\n0.628135 0.371865 -0.000000 Sb\n0.371865 0.371865 -0.000000 Sb\n0.874620 0.874619 0.749238 Sb\n0.125380 0.125380 0.250762 Sb\n0.650406 0.000000 -0.000000 Sb\n-0.000000 0.650406 -0.000000 Sb\n-0.000000 0.349594 -0.000000 Sb\n0.628135 0.628135 -0.000000 Sb\n0.118464 0.118463 0.649301 Sb\n","nsites":42,"nelements":2,"elements":["Yb","Sb"],"chemical_system":"Sb-Yb","density":8.538682381433157,"density_atomic":0.03459885460287414,"volume":1213.913017701778,"volume_molar":17.40560729284876,"formula_full":"Yb22 Sb20","formula_reduced":"Yb11Sb10","formula_anonymous":"A10B11","energy_above_hull":0.4861352714285714,"spacegroup":139},{"id":"jvasp-21040","created_at":"2022-09-04T14:38:20.354923Z","updated_at":"2022-09-04T14:38:20.354942Z","structure_string":"Li12 Se6 O24\n1.0\n8.256008 -0.002882 -2.649208\n-3.631549 7.414414 -2.649208\n-0.001798 -0.002882 8.670639\nLi Se O\n12 6 24\ndirect\n0.064717 0.296430 0.892395 Li\n0.377191 0.776602 0.602509 Li\n0.776602 0.602510 0.377191 Li\n0.602510 0.377191 0.776602 Li\n0.223398 0.397490 0.622809 Li\n0.397490 0.622809 0.223398 Li\n0.622809 0.223398 0.397490 Li\n0.107605 0.935282 0.703570 Li\n0.935282 0.703570 0.107605 Li\n0.296429 0.892394 0.064717 Li\n0.892395 0.064718 0.296430 Li\n0.703570 0.107606 0.935282 Li\n0.734803 0.962666 0.551965 Se\n0.265196 0.037334 0.448034 Se\n0.448034 0.265196 0.037333 Se\n0.037333 0.448034 0.265196 Se\n0.962666 0.551966 0.734803 Se\n0.551965 0.734803 0.962666 Se\n0.862023 0.853519 0.534861 O\n0.472861 0.522508 0.810547 O\n0.189453 0.527138 0.477491 O\n0.527138 0.477492 0.189453 O\n0.477492 0.189453 0.527138 O\n0.522508 0.810547 0.472861 O\n0.231709 0.186237 0.894586 O\n0.186236 0.894586 0.231709 O\n0.105414 0.768291 0.813763 O\n0.768291 0.813763 0.105413 O\n0.813763 0.105414 0.768291 O\n0.922920 0.570531 0.252365 O\n0.570531 0.252366 0.922920 O\n0.894586 0.231709 0.186236 O\n0.077080 0.429469 0.747634 O\n0.429469 0.747634 0.077079 O\n0.747634 0.077080 0.429469 O\n0.146480 0.465139 0.137977 O\n0.465139 0.137977 0.146480 O\n0.252365 0.922920 0.570531 O\n0.810547 0.472862 0.522508 O\n0.534861 0.862023 0.853519 O\n0.137977 0.146480 0.465139 O\n0.853520 0.534861 0.862023 O\n","nsites":42,"nelements":3,"elements":["Li","Se","O"],"chemical_system":"Li-O-Se","density":2.945340421885367,"density_atomic":0.0791641793844715,"volume":530.5429845488746,"volume_molar":7.607153648056734,"formula_full":"Li12 Se6 O24","formula_reduced":"Li2SeO4","formula_anonymous":"AB2C4","energy_above_hull":1.8045039095238091,"spacegroup":148},{"id":"jvasp-96944","created_at":"2022-09-04T14:36:20.610070Z","updated_at":"2022-09-04T14:36:20.610096Z","structure_string":"Ba9 Mg3 Si6 O24\n1.0\n9.793012 0.000000 -0.000000\n-4.896506 8.480998 -0.000000\n-0.000000 -0.000000 7.334133\nBa Mg Si O\n9 3 6 24\ndirect\n0.666027 0.667725 0.177868 Ba\n0.332274 0.998303 0.177868 Ba\n0.998302 0.666028 0.822132 Ba\n0.667725 0.001697 0.822132 Ba\n0.666667 0.333333 0.492641 Ba\n0.333972 0.332275 0.822132 Ba\n0.001697 0.333972 0.177868 Ba\n0.333333 0.666667 0.507359 Ba\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.983903 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.016096 Mg\n0.671014 0.008571 0.258929 Si\n0.337557 0.328986 0.258929 Si\n0.991428 0.662443 0.258929 Si\n0.662442 0.671014 0.741071 Si\n0.328986 0.991429 0.741071 Si\n0.008571 0.337558 0.741071 Si\n0.047873 0.355535 0.524679 O\n0.491084 0.156786 0.801437 O\n0.508922 0.665681 0.848361 O\n0.508916 0.843214 0.198562 O\n0.307662 0.952127 0.524679 O\n0.843213 0.334298 0.801437 O\n0.843242 0.508923 0.151639 O\n0.334298 0.491084 0.198562 O\n0.174416 0.175356 0.175676 O\n0.355535 0.307662 0.475321 O\n0.665702 0.508916 0.801437 O\n0.825584 0.824644 0.824324 O\n0.175356 0.000940 0.824324 O\n0.999060 0.174416 0.824324 O\n0.952127 0.644465 0.475321 O\n0.334319 0.843242 0.848361 O\n0.665680 0.156758 0.151639 O\n0.491077 0.334320 0.151639 O\n0.644464 0.692338 0.524679 O\n0.156786 0.665702 0.198562 O\n0.824644 0.999060 0.175676 O\n0.156758 0.491078 0.848361 O\n0.692337 0.047873 0.475321 O\n0.000940 0.825584 0.175676 O\n","nsites":42,"nelements":4,"elements":["Ba","Mg","Si","O"],"chemical_system":"Ba-Mg-O-Si","density":5.074189148168894,"density_atomic":0.06895047487167687,"volume":609.1328606244676,"volume_molar":8.734009114814299,"formula_full":"Ba9 Mg3 Si6 O24","formula_reduced":"Ba3Mg(SiO4)2","formula_anonymous":"AB2C3D8","energy_above_hull":1.8898994399999995,"spacegroup":147},{"id":"jvasp-60812","created_at":"2022-09-04T14:36:19.171332Z","updated_at":"2022-09-04T14:36:19.171357Z","structure_string":"Li6 Al6 Ge6 O24\n1.0\n5.053547 -6.929536 0.002499\n5.053547 6.929537 0.002500\n-4.452012 -0.000001 7.330512\nLi Al Ge O\n6 6 6 24\ndirect\n0.237752 0.073147 0.468745 Li\n0.762249 0.926853 0.531255 Li\n0.926853 0.531255 0.762248 Li\n0.531255 0.762249 0.926853 Li\n0.073147 0.468746 0.237752 Li\n0.468746 0.237752 0.073147 Li\n0.791457 0.564032 0.385413 Al\n0.385413 0.791457 0.564032 Al\n0.564032 0.385413 0.791456 Al\n0.208544 0.435969 0.614587 Al\n0.614587 0.208544 0.435968 Al\n0.435969 0.614587 0.208544 Al\n0.134510 0.893585 0.720368 Ge\n0.720369 0.134510 0.893584 Ge\n0.279632 0.865491 0.106416 Ge\n0.865491 0.106416 0.279631 Ge\n0.893585 0.720369 0.134510 Ge\n0.106416 0.279632 0.865490 Ge\n0.653271 0.335213 0.314327 O\n0.044887 0.326790 0.377399 O\n0.673211 0.622602 0.955113 O\n0.622602 0.955113 0.673210 O\n0.955113 0.673211 0.622601 O\n0.664788 0.685673 0.346729 O\n0.685673 0.346729 0.664787 O\n0.346729 0.664788 0.685673 O\n0.335213 0.314327 0.653271 O\n0.314327 0.653271 0.335212 O\n0.022955 0.042576 0.717498 O\n0.260097 0.923535 0.595391 O\n0.717499 0.022955 0.042576 O\n0.977046 0.957425 0.282502 O\n0.957425 0.282502 0.977045 O\n0.282502 0.977046 0.957424 O\n0.739904 0.076466 0.404609 O\n0.076466 0.404610 0.739904 O\n0.404610 0.739904 0.076466 O\n0.377399 0.044887 0.326790 O\n0.923535 0.595391 0.260096 O\n0.595391 0.260097 0.923534 O\n0.042576 0.717499 0.022955 O\n0.326790 0.377399 0.044887 O\n","nsites":42,"nelements":4,"elements":["Li","Al","Ge","O"],"chemical_system":"Al-Ge-Li-O","density":3.308892450526412,"density_atomic":0.08178130826495658,"volume":513.5647850475518,"volume_molar":7.363712916513097,"formula_full":"Li6 Al6 Ge6 O24","formula_reduced":"LiAlGeO4","formula_anonymous":"ABCD4","energy_above_hull":1.738856107142857,"spacegroup":148},{"id":"jvasp-96764","created_at":"2022-09-04T14:36:33.060351Z","updated_at":"2022-09-04T14:36:33.060378Z","structure_string":"S14 N12 O16\n1.0\n4.834222 -0.000000 -0.000000\n-0.000000 11.589268 0.000000\n0.000000 -0.000000 11.589268\nS N O\n14 12 16\ndirect\n0.301804 0.766174 0.733826 S\n0.698196 0.266174 0.766174 S\n0.301804 0.233826 0.266174 S\n0.573659 0.000000 0.500000 S\n0.109435 0.280968 0.039381 S\n0.890565 0.039381 0.719032 S\n0.890565 0.960619 0.280968 S\n0.109435 0.719032 0.960619 S\n0.890565 0.780968 0.460619 S\n0.890565 0.219032 0.539381 S\n0.109435 0.460619 0.219032 S\n0.109435 0.539381 0.780968 S\n0.426340 0.500000 0.000000 S\n0.698196 0.733826 0.233826 S\n0.244044 0.639611 0.699141 N\n0.244044 0.199141 0.139610 N\n0.211357 0.418770 0.081230 N\n0.788643 0.081230 0.581230 N\n0.788643 0.918770 0.418770 N\n0.211357 0.581230 0.918770 N\n0.244044 0.360390 0.300859 N\n0.755956 0.300859 0.639611 N\n0.755956 0.699141 0.360390 N\n0.244044 0.800859 0.860390 N\n0.755956 0.860390 0.199141 N\n0.755956 0.139610 0.800859 N\n0.756906 0.932701 0.742484 O\n0.243093 0.432701 0.757516 O\n0.814724 0.548137 0.775047 O\n0.185275 0.775047 0.451864 O\n0.814724 0.724954 0.951864 O\n0.185275 0.951864 0.275046 O\n0.185275 0.048137 0.724954 O\n0.814724 0.275046 0.048137 O\n0.185275 0.224954 0.548137 O\n0.243093 0.257516 0.932701 O\n0.756906 0.242484 0.432701 O\n0.756906 0.757516 0.567299 O\n0.243093 0.742484 0.067299 O\n0.756906 0.067299 0.257516 O\n0.814724 0.451864 0.224954 O\n0.243093 0.567299 0.242484 O\n","nsites":42,"nelements":3,"elements":["S","N","O"],"chemical_system":"N-O-S","density":2.2326219344837366,"density_atomic":0.0646860583227923,"volume":649.2898329098094,"volume_molar":9.309797066237506,"formula_full":"S14 N12 O16","formula_reduced":"S7(N3O4)2","formula_anonymous":"A6B7C8","energy_above_hull":3.8200194047619047,"spacegroup":113},{"id":"jvasp-89420","created_at":"2022-09-04T14:36:20.048666Z","updated_at":"2022-09-04T14:36:20.048681Z","structure_string":"K6 U6 Si4 O26\n1.0\n9.617710 0.000000 0.000000\n-4.808855 8.329182 -0.000000\n0.000000 -0.000000 8.437848\nK U Si O\n6 6 4 26\ndirect\n0.959566 0.574138 0.750000 K\n0.040433 0.614570 0.250000 K\n0.425862 0.385430 0.750000 K\n0.385429 0.425862 0.250000 K\n0.614570 0.040433 0.750000 K\n0.574137 0.959566 0.250000 K\n0.755757 0.755757 0.000000 U\n1.000000 0.244243 0.000000 U\n0.244243 -0.000000 0.500000 U\n0.244243 -0.000000 0.000000 U\n0.755757 0.755757 0.500000 U\n1.000000 0.244243 0.500000 U\n0.666667 0.333333 0.446046 Si\n0.333333 0.666667 0.946046 Si\n0.666667 0.333333 0.053955 Si\n0.333333 0.666667 0.553955 Si\n0.176993 0.503494 0.489438 O\n0.194561 0.194561 0.500000 O\n0.743889 0.747401 0.750000 O\n0.503494 0.176993 0.989438 O\n0.673498 0.496505 0.510562 O\n0.003511 0.256111 0.750000 O\n0.252599 0.996488 0.750000 O\n0.823007 0.326502 0.510562 O\n0.194561 0.194561 0.000000 O\n0.747400 0.743889 0.250000 O\n0.176993 0.503494 0.010562 O\n0.496504 0.673498 0.489438 O\n0.256111 0.003512 0.250000 O\n0.496504 0.673498 0.010562 O\n0.823007 0.326502 0.989438 O\n0.673498 0.496505 0.989438 O\n1.000000 0.805438 0.500000 O\n0.503494 0.176993 0.510562 O\n0.805438 -0.000000 0.500000 O\n0.666667 0.333333 0.250000 O\n1.000000 0.805438 0.000000 O\n0.326502 0.823007 0.489438 O\n0.326502 0.823007 0.010562 O\n0.996488 0.252599 0.250000 O\n0.805438 -0.000000 0.000000 O\n0.333333 0.666667 0.750000 O\n","nsites":42,"nelements":4,"elements":["K","U","Si","O"],"chemical_system":"K-O-Si-U","density":5.382741445801857,"density_atomic":0.062136038752758624,"volume":675.9362335136844,"volume_molar":9.691864626199134,"formula_full":"K6 U6 Si4 O26","formula_reduced":"K3U3Si2O13","formula_anonymous":"A2B3C3D13","energy_above_hull":3.035545461904762,"spacegroup":190},{"id":"jvasp-31775","created_at":"2022-09-04T14:38:39.424994Z","updated_at":"2022-09-04T14:38:39.425005Z","structure_string":"Nb2 W12 Se28\n1.0\n0.338816 5.802961 0.000000\n0.000000 0.000000 13.085958\n11.559562 -3.586111 0.000000\nNb W Se\n2 12 28\ndirect\n0.335550 0.250000 0.999893 Nb\n0.093019 0.750000 0.857250 Nb\n0.045795 0.250000 0.428181 W\n0.810968 0.750000 0.285334 W\n0.908408 0.250000 0.144572 W\n0.664756 0.750000 0.001778 W\n0.763815 0.250000 0.855365 W\n0.520164 0.750000 0.712572 W\n0.617603 0.250000 0.571809 W\n0.382778 0.750000 0.428961 W\n0.475358 0.250000 0.287988 W\n0.241133 0.750000 0.145122 W\n0.953215 0.750000 0.569156 W\n0.187440 0.250000 0.712021 W\n0.752277 0.621697 0.857181 Se\n0.336019 0.621066 0.003690 Se\n0.239204 0.121192 0.146447 Se\n0.239204 0.378808 0.146447 Se\n0.336019 0.878934 0.003690 Se\n0.478809 0.622156 0.286992 Se\n0.379576 0.122151 0.429892 Se\n0.379576 0.377849 0.429892 Se\n0.478809 0.877844 0.286992 Se\n0.620841 0.622553 0.571190 Se\n0.521728 0.122520 0.713994 Se\n0.189369 0.878809 0.710697 Se\n0.092550 0.378934 0.853452 Se\n0.092550 0.121066 0.853452 Se\n0.189369 0.621192 0.710697 Se\n0.048996 0.877848 0.427251 Se\n0.949764 0.377844 0.570151 Se\n0.949764 0.122156 0.570151 Se\n0.048996 0.622152 0.427251 Se\n0.906844 0.877480 0.143148 Se\n0.521728 0.377480 0.713994 Se\n0.807731 0.122553 0.285954 Se\n0.906844 0.622520 0.143148 Se\n0.752277 0.878303 0.857181 Se\n0.676293 0.378303 0.999962 Se\n0.676293 0.121697 0.999962 Se\n0.620841 0.877447 0.571190 Se\n0.807731 0.377447 0.285954 Se\n","nsites":42,"nelements":3,"elements":["Nb","W","Se"],"chemical_system":"Nb-Se-W","density":8.55216331196388,"density_atomic":0.04699554000940947,"volume":893.701827696644,"volume_molar":12.814281437758233,"formula_full":"Nb2 W12 Se28","formula_reduced":"Nb(W3Se7)2","formula_anonymous":"AB6C14","energy_above_hull":4.34390173968254,"spacegroup":11}]}