{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=68","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=66","results":[{"id":"jvasp-123508","created_at":"2022-09-04T14:38:53.751505Z","updated_at":"2022-09-04T14:38:53.751521Z","structure_string":"U3 O1\n1.0\n2.923339 0.000000 0.000000\n0.000000 6.725708 0.000000\n0.000000 0.000000 3.585531\nU O\n3 1\ndirect\n0.500000 0.335165 0.250000 U\n0.500000 0.614105 0.750000 U\n0.000000 0.916325 0.250000 U\n0.000000 0.134405 0.750000 O\n","nsites":4,"nelements":2,"elements":["U","O"],"chemical_system":"O-U","density":17.196993412074356,"density_atomic":0.05673999861473524,"volume":70.497005598467,"volume_molar":10.613572271811906,"formula_full":"U3 O1","formula_reduced":"U3O","formula_anonymous":"AB3","energy_above_hull":4.876917875,"spacegroup":25},{"id":"jvasp-120347","created_at":"2022-09-04T14:38:53.747463Z","updated_at":"2022-09-04T14:38:53.747490Z","structure_string":"Sr2 Ta1 N2\n1.0\n-1.863524 1.863524 7.054525\n1.863524 -1.863524 7.054525\n1.863524 1.863524 -7.054525\nSr Ta N\n2 1 2\ndirect\n0.660064 0.660064 0.000000 Sr\n0.339936 0.339936 0.000000 Sr\n0.000000 0.000000 0.000000 Ta\n0.859414 0.859414 0.000000 N\n0.140586 0.140586 0.000000 N\n","nsites":5,"nelements":3,"elements":["Sr","Ta","N"],"chemical_system":"N-Sr-Ta","density":6.510437229938609,"density_atomic":0.05102373607576713,"volume":97.99360816258742,"volume_molar":11.802626038707729,"formula_full":"Sr2 Ta1 N2","formula_reduced":"Sr2TaN2","formula_anonymous":"AB2C2","energy_above_hull":3.228183663999999,"spacegroup":139},{"id":"jvasp-120717","created_at":"2022-09-04T14:38:53.747079Z","updated_at":"2022-09-04T14:38:53.747116Z","structure_string":"Zr2 S4 O18\n1.0\n5.123025 0.055079 0.331976\n-2.180600 6.731249 -2.164122\n-0.085619 -0.257465 9.257735\nZr S O\n2 4 18\ndirect\n0.207483 0.882598 0.722808 Zr\n0.792519 0.117403 0.277194 Zr\n0.815563 0.163854 0.912318 S\n0.184439 0.836147 0.087683 S\n0.316518 0.264735 0.552472 S\n0.683483 0.735266 0.447530 S\n0.437618 0.867340 0.177640 O\n0.562384 0.132661 0.822361 O\n0.721331 0.175565 0.072974 O\n0.278670 0.824436 0.927027 O\n0.529162 0.197533 0.451117 O\n0.470839 0.802468 0.548884 O\n0.105118 0.278006 0.455508 O\n0.894884 0.721995 0.544493 O\n0.555589 0.538546 0.337471 O\n0.186180 0.109022 0.624116 O\n0.889533 -0.030321 0.851498 O\n0.444413 0.461455 0.662530 O\n-0.037517 0.668236 0.092325 O\n0.037517 0.331765 0.907676 O\n-0.075567 0.429859 0.290781 O\n0.075567 0.570142 0.709220 O\n0.813821 0.890979 0.375885 O\n0.110468 0.030322 0.148503 O\n","nsites":24,"nelements":3,"elements":["Zr","S","O"],"chemical_system":"O-S-Zr","density":3.127348009344772,"density_atomic":0.07549724939133201,"volume":317.8923761261624,"volume_molar":7.976635981510889,"formula_full":"Zr2 S4 O18","formula_reduced":"ZrS2O9","formula_anonymous":"AB2C9","energy_above_hull":2.897946333333333,"spacegroup":2},{"id":"jvasp-117901","created_at":"2022-09-04T14:38:53.743963Z","updated_at":"2022-09-04T14:38:53.743999Z","structure_string":"C1 Cl2\n1.0\n6.324617 0.000000 0.000000\n0.000000 4.198576 0.000000\n0.000000 0.000000 3.660301\nC Cl\n1 2\ndirect\n0.000000 0.274281 0.000000 C\n0.224634 0.038860 0.000000 Cl\n0.775366 0.038860 0.000000 Cl\n","nsites":3,"nelements":2,"elements":["C","Cl"],"chemical_system":"C-Cl","density":1.4165700527423883,"density_atomic":0.03086513666232499,"volume":97.19704250206348,"volume_molar":19.511142380104296,"formula_full":"C1 Cl2","formula_reduced":"CCl2","formula_anonymous":"AB2","energy_above_hull":2.1333993783333334,"spacegroup":25},{"id":"jvasp-120710","created_at":"2022-09-04T14:38:53.743251Z","updated_at":"2022-09-04T14:38:53.743278Z","structure_string":"Zr10 Ga6\n1.0\n8.131037 0.000000 0.000000\n-4.065518 7.041684 0.000000\n-0.000000 -0.000000 5.671515\nZr Ga\n10 6\ndirect\n0.666667 0.333333 -0.000000 Zr\n0.333333 0.666666 -0.000000 Zr\n0.333333 0.666666 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.758094 0.758094 0.749999 Zr\n0.241906 -0.000000 0.749999 Zr\n-0.000000 0.241905 0.749999 Zr\n0.241906 0.241905 0.250000 Zr\n0.758095 -0.000000 0.250000 Zr\n-0.000000 0.758094 0.250000 Zr\n0.390664 0.390664 0.749999 Ga\n0.609336 -0.000000 0.749999 Ga\n-0.000000 0.609335 0.749999 Ga\n0.609336 0.609335 0.250000 Ga\n0.390665 -0.000000 0.250000 Ga\n-0.000000 0.390664 0.250000 Ga\n","nsites":16,"nelements":2,"elements":["Zr","Ga"],"chemical_system":"Ga-Zr","density":6.804056035815974,"density_atomic":0.04927180001565813,"volume":324.729358272183,"volume_molar":12.222286902622226,"formula_full":"Zr10 Ga6","formula_reduced":"Zr5Ga3","formula_anonymous":"A3B5","energy_above_hull":2.882442434375,"spacegroup":193},{"id":"jvasp-123501","created_at":"2022-09-04T14:38:53.741153Z","updated_at":"2022-09-04T14:38:53.741204Z","structure_string":"U3 Mo1\n1.0\n2.905494 0.000000 0.000000\n0.000000 5.540177 0.000000\n0.000000 0.000000 4.932213\nU Mo\n3 1\ndirect\n0.499999 0.396542 0.250000 U\n0.499999 0.599910 0.750000 U\n0.000000 0.912067 0.250000 U\n0.000000 0.091482 0.750000 Mo\n","nsites":4,"nelements":2,"elements":["U","Mo"],"chemical_system":"Mo-U","density":16.941934617116733,"density_atomic":0.050381900383090775,"volume":79.39359114255413,"volume_molar":11.952984532558755,"formula_full":"U3 Mo1","formula_reduced":"U3Mo","formula_anonymous":"AB3","energy_above_hull":6.003483475,"spacegroup":25},{"id":"jvasp-120339","created_at":"2022-09-04T14:38:53.734270Z","updated_at":"2022-09-04T14:38:53.734287Z","structure_string":"Mg1 Se2\n1.0\n4.164604 0.000000 0.009426\n0.000000 3.793853 0.000000\n-0.014372 0.000000 5.524954\nMg Se\n1 2\ndirect\n0.466672 0.000000 0.133322 Mg\n-0.033424 0.000000 -0.137479 Se\n-0.033248 0.000000 0.404157 Se\n","nsites":3,"nelements":2,"elements":["Mg","Se"],"chemical_system":"Mg-Se","density":3.4663436948092023,"density_atomic":0.034366540803775644,"volume":87.29420913001545,"volume_molar":17.52326716379434,"formula_full":"Mg1 Se2","formula_reduced":"MgSe2","formula_anonymous":"AB2","energy_above_hull":0.7578444555555555,"spacegroup":47},{"id":"jvasp-121035","created_at":"2022-09-04T14:38:53.734241Z","updated_at":"2022-09-04T14:38:53.734269Z","structure_string":"Sr1 Se1 F1\n1.0\n5.942544 0.000000 0.000000\n-0.000000 5.942544 -0.000000\n-0.000000 0.000000 8.866581\nSr Se F\n1 1 1\ndirect\n0.000000 0.000000 0.005073 Sr\n0.000000 0.000000 0.675610 Se\n0.000000 0.000000 0.243673 F\n","nsites":3,"nelements":3,"elements":["Sr","Se","F"],"chemical_system":"F-Se-Sr","density":0.9841822611162833,"density_atomic":0.009581207742581014,"volume":313.1129269504651,"volume_molar":62.85367066237663,"formula_full":"Sr1 Se1 F1","formula_reduced":"SrSeF","formula_anonymous":"ABC","energy_above_hull":0.2105133333333332,"spacegroup":99},{"id":"jvasp-119977","created_at":"2022-09-04T14:38:53.733491Z","updated_at":"2022-09-04T14:38:53.733509Z","structure_string":"Ag1 As1 F2\n1.0\n3.783376 -0.000000 0.000000\n-0.000000 3.783376 -0.000000\n0.000000 -0.000000 4.307346\nAg As F\n1 1 2\ndirect\n0.500001 0.500001 0.737066 Ag\n0.000000 0.000000 0.806727 As\n0.000000 0.000000 0.224803 F\n0.500001 0.500001 0.241406 F\n","nsites":4,"nelements":3,"elements":["Ag","As","F"],"chemical_system":"Ag-As-F","density":5.946385399461651,"density_atomic":0.0648770692842934,"volume":61.65506617556769,"volume_molar":9.282387176909587,"formula_full":"Ag1 As1 F2","formula_reduced":"AgAsF2","formula_anonymous":"ABC2","energy_above_hull":0.2435823350000002,"spacegroup":99},{"id":"jvasp-120611","created_at":"2022-09-04T14:38:53.731378Z","updated_at":"2022-09-04T14:38:53.731401Z","structure_string":"Li7 Mn4 Co1 O12\n1.0\n6.193706 -0.059264 1.490922\n5.567219 2.715065 1.490922\n0.117191 0.026464 11.695228\nLi Mn Co O\n7 4 1 12\ndirect\n0.669995 0.669994 0.074342 Li\n0.000381 0.000380 0.252200 Li\n0.333003 0.333002 0.428041 Li\n0.329662 0.329660 0.899111 Li\n-0.010063 -0.010065 0.747259 Li\n0.676503 0.676501 0.596943 Li\n0.330669 0.330667 0.675059 Li\n-0.000888 -0.000890 0.998776 Mn\n0.995330 0.995328 0.504744 Mn\n0.333466 0.333465 0.167060 Mn\n0.670075 0.670073 0.331274 Mn\n0.667037 0.667034 0.830283 Co\n0.496040 0.496040 0.117246 O\n0.832090 0.832089 0.282379 O\n0.165746 0.165745 0.444591 O\n0.156853 0.156850 0.952082 O\n0.822659 0.822657 0.794468 O\n0.505736 0.505734 0.608756 O\n0.836397 0.836396 0.052336 O\n0.170967 0.170967 0.214220 O\n0.509437 0.509436 0.380919 O\n0.500228 0.500225 0.887496 O\n0.161718 0.161717 0.724872 O\n0.846967 0.846965 0.535539 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.310872754635336,"density_atomic":0.11998809295463063,"volume":200.01984704494615,"volume_molar":5.018948640409731,"formula_full":"Li7 Mn4 Co1 O12","formula_reduced":"Li7Mn4CoO12","formula_anonymous":"AB4C7D12","energy_above_hull":2.787270911063218,"spacegroup":8},{"id":"jvasp-118493","created_at":"2022-09-04T14:38:53.724318Z","updated_at":"2022-09-04T14:38:53.724334Z","structure_string":"Si1 H1 O2\n1.0\n3.281430 0.000000 0.000000\n0.000000 3.281430 0.000000\n0.000000 -0.000000 3.454129\nSi H O\n1 1 2\ndirect\n0.500001 0.500001 0.537033 Si\n0.000000 0.000000 0.857542 H\n0.000000 0.000000 0.571809 O\n0.500001 0.500001 0.043617 O\n","nsites":4,"nelements":3,"elements":["Si","H","O"],"chemical_system":"H-O-Si","density":2.72753483046018,"density_atomic":0.10754621983093286,"volume":37.19331099027159,"volume_molar":5.599583852846763,"formula_full":"Si1 H1 O2","formula_reduced":"SiHO2","formula_anonymous":"ABC2","energy_above_hull":2.3385389,"spacegroup":99},{"id":"jvasp-119972","created_at":"2022-09-04T14:38:53.723890Z","updated_at":"2022-09-04T14:38:53.723919Z","structure_string":"Be1 Te1 Br1\n1.0\n5.164510 0.000000 -0.000000\n-2.582255 4.472597 0.000000\n-0.000000 -0.000000 3.330601\nBe Te Br\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.666668 0.333334 0.000000 Te\n0.333335 0.666668 0.000000 Br\n","nsites":3,"nelements":3,"elements":["Be","Te","Br"],"chemical_system":"Be-Br-Te","density":4.673346244470368,"density_atomic":0.03899507462330516,"volume":76.93279289705652,"volume_molar":15.44333692953342,"formula_full":"Be1 Te1 Br1","formula_reduced":"BeTeBr","formula_anonymous":"ABC","energy_above_hull":1.0074493238888889,"spacegroup":187}]}