{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3369","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3367","results":[{"id":"jvasp-42398","created_at":"2022-09-04T14:35:44.075352Z","updated_at":"2022-09-04T14:35:44.075379Z","structure_string":"Li4 Fe2 O4 F2\n1.0\n1.413929 -2.448998 -0.000000\n1.413929 2.448998 0.000000\n0.000000 0.000000 14.023486\nLi Fe O F\n4 2 4 2\ndirect\n0.666667 0.333333 0.835196 Li\n0.333333 0.666667 0.164804 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.666667 0.333333 0.332762 Fe\n0.333333 0.666667 0.667239 Fe\n0.666667 0.333333 0.592089 O\n0.333333 0.666667 0.407911 O\n0.000000 0.000000 0.257583 O\n0.000000 0.000000 0.742417 O\n0.666667 0.333333 0.082613 F\n0.333333 0.666667 0.917387 F\n","nsites":12,"nelements":4,"elements":["Li","Fe","O","F"],"chemical_system":"F-Fe-Li-O","density":4.128301690011344,"density_atomic":0.12356037924424604,"volume":97.11851058889346,"volume_molar":4.873844509732224,"formula_full":"Li4 Fe2 O4 F2","formula_reduced":"Li2FeO2F","formula_anonymous":"ABC2D2","energy_above_hull":1.3835737970833335,"spacegroup":164},{"id":"jvasp-111641","created_at":"2022-09-04T14:38:50.294479Z","updated_at":"2022-09-04T14:38:50.294504Z","structure_string":"Li5 Mn2 Co1 O8\n1.0\n5.037060 0.001371 3.849185\n4.229562 2.735467 3.849185\n-0.001303 -0.000384 9.680538\nLi Mn Co O\n5 2 1 8\ndirect\n0.116890 0.116892 0.620554 Li\n0.378534 0.378537 0.851677 Li\n0.624742 0.624743 0.133168 Li\n0.879824 0.879826 0.393256 Li\n0.493647 0.493648 0.512009 Li\n0.003458 0.003461 0.996152 Mn\n0.241796 0.241797 0.258094 Mn\n0.753502 0.753505 0.743921 Co\n0.185239 0.185241 0.922403 O\n0.443337 0.443338 0.166743 O\n0.700780 0.700781 0.413876 O\n0.926651 0.926654 0.691126 O\n0.078357 0.078358 0.302863 O\n0.300323 0.300325 0.586133 O\n0.558128 0.558130 0.829459 O\n0.814778 0.814780 0.078558 O\n","nsites":16,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.128299682514998,"density_atomic":0.11999030095279534,"volume":133.3441109235526,"volume_molar":5.018856284366795,"formula_full":"Li5 Mn2 Co1 O8","formula_reduced":"Li5Mn2CoO8","formula_anonymous":"AB2C5D8","energy_above_hull":2.5683314614224138,"spacegroup":8},{"id":"jvasp-52465","created_at":"2022-09-04T14:37:44.147050Z","updated_at":"2022-09-04T14:37:44.147070Z","structure_string":"Rb4 Zr2 O6\n1.0\n3.276634 6.481985 0.457677\n-3.276634 6.481985 -0.457677\n-1.752381 0.000000 5.629148\nRb Zr O\n4 2 6\ndirect\n0.622110 0.554836 0.532018 Rb\n0.256429 0.234840 0.526647 Rb\n0.445165 0.377891 0.032018 Rb\n0.765161 0.743572 0.026646 Rb\n0.985228 0.912274 0.534617 Zr\n0.087726 0.014773 0.034617 Zr\n0.259680 0.799539 0.779518 O\n0.200462 0.740321 0.279518 O\n0.844699 0.752132 0.538380 O\n0.812384 0.129308 0.786622 O\n0.247868 0.155302 0.038380 O\n0.870692 0.187617 0.286622 O\n","nsites":12,"nelements":3,"elements":["Rb","Zr","O"],"chemical_system":"O-Rb-Zr","density":4.128268233822302,"density_atomic":0.04809360733350429,"volume":249.51341072808714,"volume_molar":12.52170734093529,"formula_full":"Rb4 Zr2 O6","formula_reduced":"Rb2ZrO3","formula_anonymous":"AB2C3","energy_above_hull":1.3483108333333331,"spacegroup":9},{"id":"jvasp-88076","created_at":"2022-09-04T14:36:15.509660Z","updated_at":"2022-09-04T14:36:15.509696Z","structure_string":"K2 Ta2 B4 O12\n1.0\n3.933237 0.000000 0.000000\n0.000000 7.453993 0.000000\n0.000000 0.000000 9.265297\nK Ta B O\n2 2 4 12\ndirect\n0.529551 0.500000 0.140555 K\n0.470450 0.000000 0.640555 K\n0.198323 0.000000 0.244520 Ta\n0.801678 0.500000 0.744520 Ta\n0.014432 0.666767 0.455292 B\n0.985569 0.166767 0.955293 B\n0.014432 0.333233 0.455292 B\n0.985569 0.833232 0.955293 B\n0.959978 0.000000 0.884226 O\n0.852714 0.315588 0.584439 O\n0.830557 0.691717 0.890264 O\n0.147287 0.815588 0.084439 O\n0.147287 0.184412 0.084439 O\n0.169444 0.191717 0.390263 O\n0.671111 0.000000 0.243915 O\n0.830557 0.308282 0.890264 O\n0.852714 0.684412 0.584439 O\n0.169444 0.808282 0.390263 O\n0.328890 0.500000 0.743915 O\n0.040023 0.500000 0.384226 O\n","nsites":20,"nelements":4,"elements":["K","Ta","B","O"],"chemical_system":"B-K-O-Ta","density":4.128251603303306,"density_atomic":0.07362605890253454,"volume":271.64295221174075,"volume_molar":8.17936047340528,"formula_full":"K2 Ta2 B4 O12","formula_reduced":"KTa(BO3)2","formula_anonymous":"ABC2D6","energy_above_hull":3.2242493366666665,"spacegroup":31},{"id":"jvasp-29559","created_at":"2022-09-04T14:37:02.278214Z","updated_at":"2022-09-04T14:37:02.278232Z","structure_string":"Fe2 P8\n1.0\n4.524048 -0.000000 -2.217063\n0.000000 5.571908 0.000000\n0.004704 0.000000 5.733926\nFe P\n2 8\ndirect\n0.174102 0.750000 0.348204 Fe\n0.825898 0.250000 0.651797 Fe\n0.003079 0.132956 0.366398 P\n0.307259 0.802175 0.037713 P\n0.996921 0.632956 0.633603 P\n0.269546 0.197825 0.962288 P\n0.636681 0.867045 0.633603 P\n0.363319 0.367044 0.366398 P\n0.692740 0.302175 0.962288 P\n0.730454 0.697825 0.037713 P\n","nsites":10,"nelements":2,"elements":["Fe","P"],"chemical_system":"Fe-P","density":4.128251564518141,"density_atomic":0.06915796534896293,"volume":144.59650380894203,"volume_molar":8.70780499341325,"formula_full":"Fe2 P8","formula_reduced":"FeP4","formula_anonymous":"AB4","energy_above_hull":3.1915415,"spacegroup":20},{"id":"jvasp-21946","created_at":"2022-09-04T14:37:30.026236Z","updated_at":"2022-09-04T14:37:30.026267Z","structure_string":"K4 Ag4 F12\n1.0\n6.143128 0.000000 0.000000\n0.000000 6.146372 0.000000\n0.000000 0.000000 8.691436\nK Ag F\n4 4 12\ndirect\n0.000000 0.000000 0.750000 K\n0.500000 0.500000 0.250000 K\n0.500000 0.500000 0.750000 K\n0.000000 0.000000 0.250000 K\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.000000 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.750000 F\n0.500000 0.000000 0.250000 F\n0.750000 0.250000 0.500000 F\n0.750000 0.250000 0.000000 F\n0.250000 0.250000 0.000000 F\n0.750000 0.750000 0.500000 F\n0.250000 0.750000 0.500000 F\n0.250000 0.750000 0.000000 F\n0.750000 0.750000 0.000000 F\n0.250000 0.250000 0.500000 F\n0.000000 0.500000 0.250000 F\n0.500000 0.000000 0.750000 F\n","nsites":20,"nelements":3,"elements":["K","Ag","F"],"chemical_system":"Ag-F-K","density":4.128172054173637,"density_atomic":0.06094387336004959,"volume":328.17080532184485,"volume_molar":9.881453914853534,"formula_full":"K4 Ag4 F12","formula_reduced":"KAgF3","formula_anonymous":"ABC3","energy_above_hull":0.0,"spacegroup":221},{"id":"jvasp-119097","created_at":"2022-09-04T14:38:34.387714Z","updated_at":"2022-09-04T14:38:34.387747Z","structure_string":"K6 Mo6 Se8 C6 N4\n1.0\n9.120568 0.045201 -2.396244\n-5.415364 7.338981 -2.396244\n-0.022681 -0.045201 9.430071\nK Mo Se C N\n6 6 8 6 4\ndirect\n0.871759 0.780881 0.652641 K\n0.128241 0.219119 0.347360 K\n0.780882 0.128241 0.909124 K\n0.219119 0.871759 0.090877 K\n0.250000 0.750000 0.500000 K\n0.750000 0.250000 0.500000 K\n0.343073 0.554191 0.897264 Mo\n0.656927 0.445809 0.102737 Mo\n0.445810 0.343073 0.788882 Mo\n0.292319 0.292319 0.000000 Mo\n0.707681 0.707681 0.000001 Mo\n0.554191 0.656927 0.211119 Mo\n0.896342 0.789549 0.301990 Se\n0.210451 0.512440 0.106792 Se\n0.789549 0.487559 0.893209 Se\n0.405649 0.103659 0.893209 Se\n0.103659 0.210451 0.698011 Se\n0.594351 0.896341 0.106792 Se\n0.512441 0.405649 0.301990 Se\n0.607210 0.837529 0.444740 Se\n0.162471 0.607210 0.769680 C\n0.837530 0.392790 0.230321 C\n0.392790 0.162471 0.555261 C\n0.066115 0.066115 0.000000 C\n0.933885 0.933884 0.000001 C\n0.487560 0.594351 0.698011 C\n0.936813 0.366954 0.303768 N\n0.633047 0.936813 0.569861 N\n0.366954 0.063187 0.430141 N\n0.063187 0.633046 0.696233 N\n","nsites":30,"nelements":5,"elements":["K","Mo","Se","C","N"],"chemical_system":"C-K-Mo-N-Se","density":4.1280432601079395,"density_atomic":0.04750250621081901,"volume":631.5456255478011,"volume_molar":12.677522178037036,"formula_full":"K6 Mo6 Se8 C6 N4","formula_reduced":"K3Mo3C3(Se2N)2","formula_anonymous":"A2B3C3D3E4","energy_above_hull":4.03386011111111,"spacegroup":1},{"id":"jvasp-8289","created_at":"2022-09-04T14:36:42.760718Z","updated_at":"2022-09-04T14:36:42.760739Z","structure_string":"Ca1 Mn2 N2\n1.0\n3.257049 0.000000 0.000000\n0.000000 3.257019 0.000000\n0.000000 0.000000 6.748624\nCa Mn N\n1 2 2\ndirect\n0.000000 0.000000 0.250000 Ca\n0.500000 0.500000 0.896906 Mn\n0.500000 0.500000 0.603095 Mn\n0.500000 0.000000 0.494089 N\n0.000000 0.500000 0.005909 N\n","nsites":5,"nelements":3,"elements":["Ca","Mn","N"],"chemical_system":"Ca-Mn-N","density":4.127907495577186,"density_atomic":0.06984095800647516,"volume":71.591228739108,"volume_molar":8.622649132965316,"formula_full":"Ca1 Mn2 N2","formula_reduced":"Ca(MnN)2","formula_anonymous":"AB2C2","energy_above_hull":3.8508622805517234,"spacegroup":115},{"id":"jvasp-9128","created_at":"2022-09-04T14:38:34.363031Z","updated_at":"2022-09-04T14:38:34.363055Z","structure_string":"Sr8 Ge4\n1.0\n5.154141 -0.000000 0.000000\n-0.000000 8.083525 0.000000\n0.000000 0.000000 9.573572\nSr Ge\n8 4\ndirect\n0.750000 0.348176 0.078805 Sr\n0.250000 0.651824 0.921195 Sr\n0.750000 0.848175 0.421195 Sr\n0.250000 0.151824 0.578805 Sr\n0.250000 0.018379 0.175294 Sr\n0.750000 0.981620 0.824706 Sr\n0.250000 0.518379 0.324706 Sr\n0.750000 0.481620 0.675294 Sr\n0.250000 0.752237 0.601309 Ge\n0.750000 0.247762 0.398691 Ge\n0.250000 0.252237 0.898691 Ge\n0.750000 0.747762 0.101309 Ge\n","nsites":12,"nelements":2,"elements":["Sr","Ge"],"chemical_system":"Ge-Sr","density":4.127807990613158,"density_atomic":0.03008500979302365,"volume":398.869738868513,"volume_molar":20.017080936421905,"formula_full":"Sr8 Ge4","formula_reduced":"Sr2Ge","formula_anonymous":"AB2","energy_above_hull":0.0,"spacegroup":62},{"id":"jvasp-50812","created_at":"2022-09-04T14:35:52.875605Z","updated_at":"2022-09-04T14:35:52.875633Z","structure_string":"Ba1 Ca1 I4\n1.0\n4.780621 -0.003344 0.003965\n0.005847 7.155185 -1.683560\n-0.007763 -2.347900 8.608923\nBa Ca I\n1 1 4\ndirect\n0.505635 0.494946 -0.000452 Ba\n0.005673 -0.005361 0.499684 Ca\n0.005584 0.513228 0.279772 I\n0.505687 0.023577 0.273648 I\n0.005697 0.476121 0.719185 I\n0.505650 0.966068 0.725912 I\n","nsites":6,"nelements":3,"elements":["Ba","Ca","I"],"chemical_system":"Ba-Ca-I","density":4.127653108706391,"density_atomic":0.021772097338709294,"volume":275.5820859450418,"volume_molar":27.659901874924323,"formula_full":"Ba1 Ca1 I4","formula_reduced":"BaCaI4","formula_anonymous":"ABC4","energy_above_hull":0.0045049999999999,"spacegroup":10},{"id":"jvasp-36319","created_at":"2022-09-04T14:37:16.346098Z","updated_at":"2022-09-04T14:37:16.346123Z","structure_string":"Mn1 P1\n1.0\n2.585378 2.585378 0.000000\n2.585378 -0.000000 -2.585378\n0.000000 2.585378 -2.585378\nMn P\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 P\n","nsites":2,"nelements":2,"elements":["Mn","P"],"chemical_system":"Mn-P","density":4.127620957064272,"density_atomic":0.05786658501073559,"volume":34.562260752538855,"volume_molar":10.406939961780626,"formula_full":"Mn1 P1","formula_reduced":"MnP","formula_anonymous":"AB","energy_above_hull":2.4144363706896548,"spacegroup":216},{"id":"jvasp-35265","created_at":"2022-09-04T14:38:01.270968Z","updated_at":"2022-09-04T14:38:01.270991Z","structure_string":"Fe4 Si2 S8\n1.0\n-0.000156 0.000089 -5.459850\n-3.353921 -5.862071 0.000000\n-6.753473 -0.026563 0.000027\nFe Si S\n4 2 8\ndirect\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.080103 0.333335 0.333330 Si\n0.919896 0.666664 0.666671 Si\n0.251198 0.167738 0.664523 S\n0.686556 0.333331 0.333339 S\n0.251203 0.167730 0.167746 S\n0.251203 0.664524 0.167746 S\n0.748796 0.832269 0.832255 S\n0.748796 0.335475 0.832255 S\n0.313444 0.666668 0.666662 S\n0.748801 0.832261 0.335478 S\n","nsites":14,"nelements":3,"elements":["Fe","Si","S"],"chemical_system":"Fe-S-Si","density":4.127536069909285,"density_atomic":0.06491536475389484,"volume":215.66542917961527,"volume_molar":9.276911225610391,"formula_full":"Fe4 Si2 S8","formula_reduced":"Fe2SiS4","formula_anonymous":"AB2C4","energy_above_hull":2.7998227999999994,"spacegroup":164}]}