{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=116","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=114","results":[{"id":"jvasp-118866","created_at":"2022-09-04T14:38:52.396690Z","updated_at":"2022-09-04T14:38:52.396711Z","structure_string":"As1 Se1 I1\n1.0\n5.267987 0.000000 0.000000\n0.000000 5.267987 0.000000\n0.000000 -0.000000 10.736192\nAs Se I\n1 1 1\ndirect\n0.000000 0.000000 0.243526 As\n0.000000 0.000000 0.750266 Se\n0.000000 0.000000 -0.001839 I\n","nsites":3,"nelements":3,"elements":["As","Se","I"],"chemical_system":"As-I-Se","density":1.5648942582645322,"density_atomic":0.01006888999269965,"volume":297.9474403012766,"volume_molar":59.80938081919949,"formula_full":"As1 Se1 I1","formula_reduced":"AsSeI","formula_anonymous":"ABC","energy_above_hull":1.5150371305555554,"spacegroup":99},{"id":"jvasp-120015","created_at":"2022-09-04T14:38:52.394943Z","updated_at":"2022-09-04T14:38:52.394967Z","structure_string":"C1 Br1\n1.0\n3.900760 -0.000000 0.000000\n-1.950380 3.378157 -0.000000\n0.000000 0.000000 3.286135\nC Br\n1 1\ndirect\n0.333334 0.666667 0.000000 C\n0.000000 0.000000 0.000000 Br\n","nsites":2,"nelements":2,"elements":["C","Br"],"chemical_system":"Br-C","density":3.524679319733075,"density_atomic":0.04618655123637224,"volume":43.30264863822492,"volume_molar":13.03873226901064,"formula_full":"C1 Br1","formula_reduced":"CBr","formula_anonymous":"AB","energy_above_hull":3.2776770525,"spacegroup":187},{"id":"jvasp-120490","created_at":"2022-09-04T14:38:52.393218Z","updated_at":"2022-09-04T14:38:52.393245Z","structure_string":"Zr1 U4 O10\n1.0\n3.770278 -0.002089 15.110826\n1.854915 3.282421 15.110826\n-0.003583 -0.002089 15.574082\nZr U O\n1 4 10\ndirect\n0.000000 0.000000 0.000000 Zr\n0.602345 0.602345 0.602346 U\n0.200805 0.200805 0.200805 U\n0.799195 0.799194 0.799196 U\n0.397655 0.397655 0.397655 U\n0.046779 0.046779 0.046779 O\n0.850313 0.850312 0.850313 O\n0.448516 0.448515 0.448516 O\n0.652543 0.652542 0.652543 O\n0.252153 0.252152 0.252153 O\n0.347458 0.347458 0.347458 O\n0.149688 0.149688 0.149688 O\n0.747848 0.747847 0.747848 O\n0.953222 0.953221 0.953222 O\n0.551485 0.551484 0.551485 O\n","nsites":15,"nelements":3,"elements":["Zr","U","O"],"chemical_system":"O-U-Zr","density":10.35124636226177,"density_atomic":0.07770496134786097,"volume":193.03786707839234,"volume_molar":7.7500080503749915,"formula_full":"Zr1 U4 O10","formula_reduced":"ZrU4O10","formula_anonymous":"AB4C10","energy_above_hull":4.0935229,"spacegroup":166},{"id":"jvasp-120855","created_at":"2022-09-04T14:38:52.391650Z","updated_at":"2022-09-04T14:38:52.391677Z","structure_string":"Ba1 Pb1 Cl2\n1.0\n4.322861 0.000000 -0.000000\n0.000000 4.322861 0.000000\n0.000000 -0.000000 6.983806\nBa Pb Cl\n1 1 2\ndirect\n0.500000 0.500000 0.548196 Ba\n0.000000 0.000000 0.884817 Pb\n0.000000 0.000000 0.450390 Cl\n0.500000 0.500000 0.126598 Cl\n","nsites":4,"nelements":3,"elements":["Ba","Pb","Cl"],"chemical_system":"Ba-Cl-Pb","density":5.285856638529578,"density_atomic":0.03064963325051797,"volume":130.50727123896013,"volume_molar":19.64832894011294,"formula_full":"Ba1 Pb1 Cl2","formula_reduced":"BaPbCl2","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":99},{"id":"jvasp-118105","created_at":"2022-09-04T14:38:52.390690Z","updated_at":"2022-09-04T14:38:52.390708Z","structure_string":"Cl1 O1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 7.408481\nCl O\n1 1\ndirect\n0.000000 0.000000 0.864695 Cl\n0.000000 0.000000 0.135305 O\n","nsites":2,"nelements":2,"elements":["Cl","O"],"chemical_system":"Cl-O","density":0.41183505946286497,"density_atomic":0.009640478185062007,"volume":207.45858883836436,"volume_molar":62.46724119277975,"formula_full":"Cl1 O1","formula_reduced":"ClO","formula_anonymous":"AB","energy_above_hull":1.48587878375,"spacegroup":99},{"id":"jvasp-117999","created_at":"2022-09-04T14:38:52.384179Z","updated_at":"2022-09-04T14:38:52.384204Z","structure_string":"Nb2 Ag2 S2\n1.0\n1.531486 -4.313731 -0.000000\n1.531486 4.313731 0.000000\n0.000000 -0.000000 9.666725\nNb Ag S\n2 2 2\ndirect\n0.447222 0.552781 0.250000 Nb\n0.552781 0.447222 0.750000 Nb\n-0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.267906 0.732097 0.750000 S\n0.732097 0.267906 0.250000 S\n","nsites":6,"nelements":3,"elements":["Nb","Ag","S"],"chemical_system":"Ag-Nb-S","density":6.0542513914508795,"density_atomic":0.04697597473119823,"volume":127.72486434464999,"volume_molar":12.819618527256457,"formula_full":"Nb2 Ag2 S2","formula_reduced":"NbAgS","formula_anonymous":"ABC","energy_above_hull":2.081255553333333,"spacegroup":63},{"id":"jvasp-118375","created_at":"2022-09-04T14:38:52.381370Z","updated_at":"2022-09-04T14:38:52.381397Z","structure_string":"Ca1 Al1 Sb1\n1.0\n3.241820 -0.000000 0.000000\n0.000000 3.241820 0.000000\n0.000000 0.000000 8.846793\nCa Al Sb\n1 1 1\ndirect\n0.000000 0.000000 0.655100 Ca\n0.000000 0.000000 0.315022 Al\n0.000000 0.000000 0.005533 Sb\n","nsites":3,"nelements":3,"elements":["Ca","Al","Sb"],"chemical_system":"Al-Ca-Sb","density":3.3723478859037845,"density_atomic":0.032266926110822436,"volume":92.97445903884194,"volume_molar":18.663509313892018,"formula_full":"Ca1 Al1 Sb1","formula_reduced":"CaAlSb","formula_anonymous":"ABC","energy_above_hull":0.9262831066666668,"spacegroup":99},{"id":"jvasp-123646","created_at":"2022-09-04T14:38:52.377504Z","updated_at":"2022-09-04T14:38:52.377531Z","structure_string":"Be1 Se2\n1.0\n1.877869 -3.171343 -0.705942\n1.807530 3.130732 -0.000000\n-0.808039 0.466521 5.179584\nBe Se\n1 2\ndirect\n0.000000 0.333355 0.166667 Be\n0.798875 0.732760 0.411344 Se\n0.201124 -0.066116 0.921988 Se\n","nsites":3,"nelements":2,"elements":["Be","Se"],"chemical_system":"Be-Se","density":4.7990337654256825,"density_atomic":0.05193808020320552,"volume":57.76108759242984,"volume_molar":11.594846664410065,"formula_full":"Be1 Se2","formula_reduced":"BeSe2","formula_anonymous":"AB2","energy_above_hull":1.2761509444444443,"spacegroup":12},{"id":"jvasp-117995","created_at":"2022-09-04T14:38:52.377432Z","updated_at":"2022-09-04T14:38:52.377458Z","structure_string":"Ca1 V1 O3\n1.0\n3.791737 -0.000000 0.000000\n-0.000000 3.791737 0.000000\n-0.000000 -0.000000 3.791737\nCa V O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.500001 0.500001 V\n0.500001 0.500001 0.000000 O\n0.500001 0.000000 0.500001 O\n0.000000 0.500001 0.500001 O\n","nsites":5,"nelements":3,"elements":["Ca","V","O"],"chemical_system":"Ca-O-V","density":4.2345237894855385,"density_atomic":0.0917181708540103,"volume":54.51482463555235,"volume_molar":6.56591894924024,"formula_full":"Ca1 V1 O3","formula_reduced":"CaVO3","formula_anonymous":"ABC3","energy_above_hull":1.7799910240000003,"spacegroup":221},{"id":"jvasp-122836","created_at":"2022-09-04T14:38:52.373429Z","updated_at":"2022-09-04T14:38:52.373452Z","structure_string":"Ce1 Sm3\n1.0\n1.789725 -3.099895 -0.000000\n1.789725 3.099895 0.000000\n0.000000 0.000000 11.469317\nCe Sm\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Sm\n0.333335 0.666668 0.245129 Sm\n0.666668 0.333335 0.754871 Sm\n","nsites":4,"nelements":2,"elements":["Ce","Sm"],"chemical_system":"Ce-Sm","density":7.7140019477330615,"density_atomic":0.03143106893024746,"volume":127.26261422660777,"volume_molar":19.159834408955263,"formula_full":"Ce1 Sm3","formula_reduced":"CeSm3","formula_anonymous":"AB3","energy_above_hull":1.69121553125,"spacegroup":164},{"id":"jvasp-120013","created_at":"2022-09-04T14:38:52.367268Z","updated_at":"2022-09-04T14:38:52.367279Z","structure_string":"C2 Br1\n1.0\n3.933037 0.562289 -0.153114\n-2.774926 -2.849503 0.020217\n-0.252842 0.211842 -6.043431\nC Br\n2 1\ndirect\n0.158346 0.676358 0.414801 C\n0.661056 0.173770 0.414739 C\n0.914306 0.929418 0.914689 Br\n","nsites":3,"nelements":2,"elements":["C","Br"],"chemical_system":"Br-C","density":2.9509143780862863,"density_atomic":0.05129878286256688,"volume":58.480919674784786,"volume_molar":11.73934433519358,"formula_full":"C2 Br1","formula_reduced":"C2Br","formula_anonymous":"AB2","energy_above_hull":3.760208035,"spacegroup":65},{"id":"jvasp-119750","created_at":"2022-09-04T14:38:52.366364Z","updated_at":"2022-09-04T14:38:52.366396Z","structure_string":"Li8 Mn4 F16\n1.0\n6.027405 -0.000000 0.000000\n0.000000 6.027405 0.000000\n-0.000000 -0.000000 8.453029\nLi Mn F\n8 4 16\ndirect\n-0.000000 0.214403 -0.000000 Li\n-0.000000 0.785597 0.500000 Li\n0.250825 0.250825 0.625000 Li\n0.250825 0.749174 0.875000 Li\n0.214403 0.000000 0.250000 Li\n0.785597 0.000000 0.750000 Li\n0.749174 0.250825 0.375000 Li\n0.749174 0.749174 0.125000 Li\n0.777632 0.500000 0.750000 Mn\n0.500000 0.777632 0.500000 Mn\n0.500000 0.222367 -0.000000 Mn\n0.222367 0.500000 0.250000 Mn\n0.759047 -0.001661 0.987077 F\n0.759047 0.001661 0.512924 F\n0.753153 0.478006 0.000843 F\n0.753153 0.521993 0.499157 F\n0.478006 0.753153 0.249157 F\n0.478006 0.246846 0.250843 F\n0.521993 0.753153 0.750843 F\n-0.001661 0.759047 0.262924 F\n0.246846 0.478006 -0.000843 F\n0.246846 0.521993 0.500843 F\n0.240952 0.001661 0.487076 F\n0.240952 -0.001661 0.012924 F\n0.001661 0.240952 0.762924 F\n-0.001661 0.240952 0.237076 F\n0.521993 0.246846 0.749157 F\n0.001661 0.759047 0.737077 F\n","nsites":28,"nelements":3,"elements":["Li","Mn","F"],"chemical_system":"F-Li-Mn","density":3.132171295337648,"density_atomic":0.0911769214494028,"volume":307.09525562933334,"volume_molar":6.604895914742956,"formula_full":"Li8 Mn4 F16","formula_reduced":"Li2MnF4","formula_anonymous":"AB2C4","energy_above_hull":0.4146854816256154,"spacegroup":95}]}