{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume_molar&page=89","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume_molar&page=87","results":[{"id":"jvasp-69108","created_at":"2022-09-04T14:35:41.467838Z","updated_at":"2022-09-04T14:35:41.467868Z","structure_string":"Ba1 Sr2 Sc1\n1.0\n4.195170 -0.000000 0.000000\n-0.000000 4.195423 0.000000\n0.000000 0.000000 10.189557\nBa Sr Sc\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.700364 Sr\n0.000000 0.000000 0.299636 Sr\n0.500000 0.500000 0.500000 Sc\n","nsites":4,"nelements":3,"elements":["Ba","Sr","Sc"],"chemical_system":"Ba-Sc-Sr","density":3.3103381131797303,"density_atomic":0.022303826041392694,"volume":179.34142745628375,"volume_molar":27.00048300602674,"formula_full":"Ba1 Sr2 Sc1","formula_reduced":"BaSr2Sc","formula_anonymous":"ABC2","energy_above_hull":0.3583859599999999,"spacegroup":123},{"id":"jvasp-64320","created_at":"2022-09-04T14:38:07.895096Z","updated_at":"2022-09-04T14:38:07.895123Z","structure_string":"Ba4 Ca1 V1\n1.0\n-0.000000 5.123557 5.123557\n5.123557 -0.000000 5.123557\n5.123557 5.123557 0.000000\nBa Ca V\n4 1 1\ndirect\n0.120515 0.626495 0.626495 Ba\n0.626495 0.626495 0.626495 Ba\n0.626495 0.120515 0.626495 Ba\n0.626495 0.626495 0.120515 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 V\n","nsites":6,"nelements":3,"elements":["Ba","Ca","V"],"chemical_system":"Ba-Ca-V","density":3.9528154573338132,"density_atomic":0.02230522139742019,"volume":268.9953124918974,"volume_molar":26.998793926773207,"formula_full":"Ba4 Ca1 V1","formula_reduced":"Ba4CaV","formula_anonymous":"ABC4","energy_above_hull":0.7098130833333333,"spacegroup":216},{"id":"jvasp-91666","created_at":"2022-09-04T14:35:52.713444Z","updated_at":"2022-09-04T14:35:52.713457Z","structure_string":"K6 Co2\n1.0\n-5.653011 0.000000 0.949661\n-1.302648 0.000000 -7.799921\n0.000000 -7.912148 0.000000\nK Co\n6 2\ndirect\n0.000000 0.000000 0.500000 K\n0.000000 0.500000 0.000000 K\n0.500047 0.318178 0.681905 K\n0.499952 0.181822 0.181905 K\n0.499953 0.681822 0.318095 K\n0.500048 0.818178 0.818095 K\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n","nsites":8,"nelements":2,"elements":["K","Co"],"chemical_system":"Co-K","density":1.6318229383344816,"density_atomic":0.022305336577446568,"volume":358.6585646095554,"volume_molar":26.998654510728713,"formula_full":"K6 Co2","formula_reduced":"K3Co","formula_anonymous":"AB3","energy_above_hull":0.303421225,"spacegroup":127},{"id":"jvasp-106906","created_at":"2022-09-04T14:36:53.823434Z","updated_at":"2022-09-04T14:36:53.823455Z","structure_string":"K2 Ce1 Ag1 I6\n1.0\n7.438444 -0.000000 4.294587\n2.479481 7.013032 4.294587\n-0.000000 -0.000000 8.589175\nK Ce Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ag\n0.754879 0.245120 0.245121 I\n0.245120 0.245120 0.754880 I\n0.245120 0.754880 0.754880 I\n0.245120 0.754880 0.245121 I\n0.754879 0.245120 0.754880 I\n0.754879 0.754880 0.245121 I\n","nsites":10,"nelements":4,"elements":["K","Ce","Ag","I"],"chemical_system":"Ag-Ce-I-K","density":4.0307138666301485,"density_atomic":0.022318275295385517,"volume":448.0632964531798,"volume_molar":26.98300240630658,"formula_full":"K2 Ce1 Ag1 I6","formula_reduced":"K2CeAgI6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-115132","created_at":"2022-09-04T14:38:44.889248Z","updated_at":"2022-09-04T14:38:44.889279Z","structure_string":"In2 I1\n1.0\n6.589651 0.000000 1.376648\n0.000000 3.742955 0.000000\n1.454441 0.000000 5.752149\nIn I\n2 1\ndirect\n-0.056849 0.000000 -0.047132 In\n-0.009605 0.000000 0.429349 In\n0.466453 0.000000 0.017783 I\n","nsites":3,"nelements":2,"elements":["In","I"],"chemical_system":"I-In","density":4.405749793931078,"density_atomic":0.022324572653614483,"volume":134.38107177000236,"volume_molar":26.97539098928722,"formula_full":"In2 I1","formula_reduced":"In2I","formula_anonymous":"AB2","energy_above_hull":0.0513733333333333,"spacegroup":38},{"id":"jvasp-107803","created_at":"2022-09-04T14:36:33.876497Z","updated_at":"2022-09-04T14:36:33.876519Z","structure_string":"K2 Tl1 As1 I6\n1.0\n7.437597 -0.000000 4.294099\n2.479199 7.012234 4.294099\n-0.000000 -0.000000 8.588197\nK Tl As I\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.763569 0.236431 0.236431 I\n0.236431 0.236431 0.763569 I\n0.236432 0.763568 0.763569 I\n0.236432 0.763568 0.236431 I\n0.763569 0.236431 0.763569 I\n0.763569 0.763568 0.236431 I\n","nsites":10,"nelements":4,"elements":["K","Tl","As","I"],"chemical_system":"As-I-K-Tl","density":4.1482060688804605,"density_atomic":0.022325899175487232,"volume":447.9102911554631,"volume_molar":26.973788211907817,"formula_full":"K2 Tl1 As1 I6","formula_reduced":"K2TlAsI6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-5683","created_at":"2022-09-04T14:36:50.627997Z","updated_at":"2022-09-04T14:36:50.628013Z","structure_string":"Ga2 Te2 I14\n1.0\n0.000000 7.236260 -0.131466\n7.211841 0.000000 0.000000\n0.000000 -3.787686 -15.378462\nGa Te I\n2 2 14\ndirect\n0.285443 0.490624 0.806823 Ga\n0.285443 0.509376 0.306823 Ga\n0.004778 0.084771 0.654878 Te\n0.004779 0.915229 0.154878 Te\n0.706034 0.125563 0.187305 I\n0.706034 0.874437 0.687305 I\n0.789038 0.669076 0.035513 I\n0.789038 0.330924 0.535512 I\n0.944444 0.616519 0.309703 I\n0.944444 0.383480 0.809703 I\n0.370818 0.378129 0.663968 I\n0.130179 0.862878 0.536643 I\n0.516244 0.678587 0.432465 I\n0.516244 0.321413 0.932465 I\n0.319320 0.156872 0.328653 I\n0.319320 0.843128 0.828653 I\n0.370819 0.621871 0.163968 I\n0.130179 0.137122 0.036643 I\n","nsites":18,"nelements":3,"elements":["Ga","Te","I"],"chemical_system":"Ga-I-Te","density":4.472583420198663,"density_atomic":0.022328539072901298,"volume":806.1432027071326,"volume_molar":26.970599107886475,"formula_full":"Ga2 Te2 I14","formula_reduced":"GaTeI7","formula_anonymous":"ABC7","energy_above_hull":0.0,"spacegroup":7},{"id":"jvasp-18362","created_at":"2022-09-04T14:38:09.324215Z","updated_at":"2022-09-04T14:38:09.324249Z","structure_string":"Rb3 Bi1\n1.0\n5.479726 -0.000000 3.163722\n1.826576 5.166335 3.163722\n-0.000000 -0.000000 6.327443\nRb Bi\n3 1\ndirect\n0.750001 0.750001 0.749998 Rb\n0.500001 0.500000 0.499999 Rb\n0.250000 0.250000 0.249999 Rb\n0.000000 0.000000 0.000000 Bi\n","nsites":4,"nelements":2,"elements":["Rb","Bi"],"chemical_system":"Bi-Rb","density":4.314104993852448,"density_atomic":0.022330083286419992,"volume":179.130545492976,"volume_molar":26.96873398435713,"formula_full":"Rb3 Bi1","formula_reduced":"Rb3Bi","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-64228","created_at":"2022-09-04T14:36:18.955381Z","updated_at":"2022-09-04T14:36:18.955413Z","structure_string":"Ba4 Sc1 Zn1\n1.0\n-0.000000 5.121536 5.121536\n5.121536 0.000000 5.121536\n5.121536 5.121536 0.000000\nBa Sc Zn\n4 1 1\ndirect\n0.124739 0.625088 0.625088 Ba\n0.625088 0.625088 0.625088 Ba\n0.625088 0.124739 0.625088 Ba\n0.625088 0.625088 0.124739 Ba\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Zn\n","nsites":6,"nelements":3,"elements":["Ba","Sc","Zn"],"chemical_system":"Ba-Sc-Zn","density":4.077059631808041,"density_atomic":0.022331637287068103,"volume":268.67712039522087,"volume_molar":26.96685730019145,"formula_full":"Ba4 Sc1 Zn1","formula_reduced":"Ba4ScZn","formula_anonymous":"ABC4","energy_above_hull":0.1118282549999998,"spacegroup":216},{"id":"jvasp-117495","created_at":"2022-09-04T14:38:51.128501Z","updated_at":"2022-09-04T14:38:51.128530Z","structure_string":"B1 I3\n1.0\n6.928535 -0.000000 0.000000\n-3.464267 6.000287 -0.000000\n-0.000000 -0.000000 4.308024\nB I\n1 3\ndirect\n0.000000 0.000000 0.000000 B\n0.308240 0.000000 0.000000 I\n0.999999 0.308241 0.000000 I\n0.691759 0.691760 0.000000 I\n","nsites":4,"nelements":2,"elements":["B","I"],"chemical_system":"B-I","density":3.6300816063860566,"density_atomic":0.022334099078520693,"volume":179.09833684972358,"volume_molar":26.96388485977326,"formula_full":"B1 I3","formula_reduced":"BI3","formula_anonymous":"AB3","energy_above_hull":0.8804153520833333,"spacegroup":189},{"id":"jvasp-64689","created_at":"2022-09-04T14:36:04.186462Z","updated_at":"2022-09-04T14:36:04.186492Z","structure_string":"Ba4 Na1 Ta1\n1.0\n-0.000000 5.120977 5.120977\n5.120977 -0.000000 5.120977\n5.120977 5.120977 -0.000000\nBa Na Ta\n4 1 1\ndirect\n0.120836 0.626388 0.626388 Ba\n0.626388 0.626388 0.626388 Ba\n0.626388 0.120836 0.626388 Ba\n0.626388 0.626388 0.120836 Ba\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ta\n","nsites":6,"nelements":3,"elements":["Ba","Na","Ta"],"chemical_system":"Ba-Na-Ta","density":4.656903706298651,"density_atomic":0.022338951173440837,"volume":268.589154137796,"volume_molar":26.95802821378573,"formula_full":"Ba4 Na1 Ta1","formula_reduced":"Ba4NaTa","formula_anonymous":"ABC4","energy_above_hull":1.1022253466666665,"spacegroup":216},{"id":"jvasp-66379","created_at":"2022-09-04T14:35:57.569885Z","updated_at":"2022-09-04T14:35:57.569916Z","structure_string":"Ba1 Ti1 Br1\n1.0\n-0.000000 4.063953 4.063953\n4.063953 -0.000000 4.063953\n4.063953 4.063953 0.000000\nBa Ti Br\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Br\n","nsites":3,"nelements":3,"elements":["Ba","Ti","Br"],"chemical_system":"Ba-Br-Ti","density":3.2792877230443525,"density_atomic":0.022348337898668708,"volume":134.238170802792,"volume_molar":26.94670533131119,"formula_full":"Ba1 Ti1 Br1","formula_reduced":"BaTiBr","formula_anonymous":"ABC","energy_above_hull":1.1305494694444445,"spacegroup":216}]}