{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=3515","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=3513","results":[{"id":"jvasp-86282","created_at":"2022-09-04T14:36:18.382341Z","updated_at":"2022-09-04T14:36:18.382379Z","structure_string":"Tl2 Cd1 Sn1 Te4\n1.0\n6.818310 -0.021147 -1.888528\n-3.949826 5.557757 -1.888528\n0.010957 0.021147 7.075010\nTl Cd Sn Te\n2 1 1 4\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 -0.000000 Cd\n0.000000 0.000000 0.000000 Sn\n0.576434 0.940451 -0.000000 Te\n0.059549 0.059549 0.635983 Te\n0.423565 0.423566 0.364017 Te\n0.940451 0.576434 -0.000001 Te\n","nsites":8,"nelements":4,"elements":["Tl","Cd","Sn","Te"],"chemical_system":"Cd-Sn-Te-Tl","density":7.125672194595145,"density_atomic":0.02984422398732246,"volume":268.0585698391194,"volume_molar":20.178580493693346,"formula_full":"Tl2 Cd1 Sn1 Te4","formula_reduced":"Tl2CdSnTe4","formula_anonymous":"ABC2D4","energy_above_hull":0.0898109645833333,"spacegroup":121},{"id":"jvasp-92757","created_at":"2022-09-04T14:36:18.374576Z","updated_at":"2022-09-04T14:36:18.374613Z","structure_string":"La1 Ag1 O3\n1.0\n4.078010 0.000000 0.000000\n0.000000 4.078010 0.000000\n-0.000000 -0.000000 4.078010\nLa Ag O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n","nsites":5,"nelements":3,"elements":["La","Ag","O"],"chemical_system":"Ag-La-O","density":7.217557871272845,"density_atomic":0.07372675937373477,"volume":67.81798145574339,"volume_molar":8.16818860771113,"formula_full":"La1 Ag1 O3","formula_reduced":"LaAgO3","formula_anonymous":"ABC3","energy_above_hull":1.5378005519999998,"spacegroup":221},{"id":"jvasp-105952","created_at":"2022-09-04T14:36:18.369771Z","updated_at":"2022-09-04T14:36:18.369797Z","structure_string":"Zr2 Al3 Co1\n1.0\n4.526023 -0.009035 2.443435\n1.453585 4.286263 2.443435\n-0.012631 -0.009035 5.143453\nZr Al Co\n2 3 1\ndirect\n0.627456 0.627455 0.627458 Zr\n0.372543 0.372542 0.372544 Zr\n-0.000000 0.500000 0.000001 Al\n0.500000 -0.000001 0.000001 Al\n0.000000 -0.000001 0.500000 Al\n0.000000 0.000000 0.000000 Co\n","nsites":6,"nelements":3,"elements":["Zr","Al","Co"],"chemical_system":"Al-Co-Zr","density":5.349696978202167,"density_atomic":0.05997030425317737,"volume":100.04951741898334,"volume_molar":10.041871281119827,"formula_full":"Zr2 Al3 Co1","formula_reduced":"Zr2Al3Co","formula_anonymous":"AB2C3","energy_above_hull":3.051069716666667,"spacegroup":166},{"id":"jvasp-69346","created_at":"2022-09-04T14:36:18.365434Z","updated_at":"2022-09-04T14:36:18.365460Z","structure_string":"K2 Ba1 Mg1\n1.0\n4.193943 0.000000 -0.000000\n-0.000000 4.193943 -0.000000\n0.000000 -0.000000 12.139462\nK Ba Mg\n2 1 1\ndirect\n0.000000 0.000000 0.794645 K\n0.000000 0.000000 0.205355 K\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Mg\n","nsites":4,"nelements":3,"elements":["K","Ba","Mg"],"chemical_system":"Ba-K-Mg","density":1.8651148606484709,"density_atomic":0.018733352449665154,"volume":213.52291378425954,"volume_molar":32.146626057353885,"formula_full":"K2 Ba1 Mg1","formula_reduced":"K2BaMg","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":123},{"id":"jvasp-62322","created_at":"2022-09-04T14:36:18.365049Z","updated_at":"2022-09-04T14:36:18.365071Z","structure_string":"Sm2 Al4 Au4\n1.0\n4.394706 -0.000000 -0.000000\n-0.000000 4.394706 0.000000\n-0.000000 -0.000000 10.427383\nSm Al Au\n2 4 4\ndirect\n0.000000 0.500000 0.752112 Sm\n0.500000 0.000000 0.247888 Sm\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.131104 Al\n0.500000 0.000000 0.868896 Al\n0.500000 0.500000 0.000000 Au\n0.000000 0.000000 0.000000 Au\n0.000000 0.500000 0.369235 Au\n0.500000 0.000000 0.630764 Au\n","nsites":10,"nelements":3,"elements":["Sm","Al","Au"],"chemical_system":"Al-Au-Sm","density":9.865777878587974,"density_atomic":0.049655232660157804,"volume":201.3886445450847,"volume_molar":12.127907649161061,"formula_full":"Sm2 Al4 Au4","formula_reduced":"Sm(AlAu)2","formula_anonymous":"AB2C2","energy_above_hull":1.0705599229999998,"spacegroup":129},{"id":"jvasp-14857","created_at":"2022-09-04T14:36:18.362777Z","updated_at":"2022-09-04T14:36:18.362793Z","structure_string":"Zr2 Cu1\n1.0\n3.112702 -0.000000 -0.860990\n-0.238154 3.103578 -0.860990\n-0.004486 -0.004843 6.040894\nZr Cu\n2 1\ndirect\n0.345959 0.345961 0.691918 Zr\n0.654040 0.654041 0.308081 Zr\n0.000000 0.000000 0.000000 Cu\n","nsites":3,"nelements":2,"elements":["Zr","Cu"],"chemical_system":"Cu-Zr","density":7.002698341315474,"density_atomic":0.051429589899502165,"volume":58.33217814612673,"volume_molar":11.7094862544457,"formula_full":"Zr2 Cu1","formula_reduced":"Zr2Cu","formula_anonymous":"AB2","energy_above_hull":2.3729131500000005,"spacegroup":139},{"id":"jvasp-43808","created_at":"2022-09-04T14:36:18.361901Z","updated_at":"2022-09-04T14:36:18.361919Z","structure_string":"Li4 Fe2 F8\n1.0\n2.789145 4.435555 -0.000000\n-2.789145 4.435555 -0.000000\n0.000000 -0.000000 6.201869\nLi Fe F\n4 2 8\ndirect\n0.157468 0.157468 0.250000 Li\n0.499999 0.499999 0.000000 Li\n0.499999 0.499999 0.500000 Li\n0.842530 0.842530 0.750000 Li\n0.159901 0.159901 0.750000 Fe\n0.840098 0.840098 0.250000 Fe\n0.234391 0.750342 0.750000 F\n0.249657 0.765608 0.250000 F\n0.277440 0.277440 0.012477 F\n0.277440 0.277440 0.487523 F\n0.722559 0.722559 0.987523 F\n0.722559 0.722559 0.512477 F\n0.750342 0.234391 0.750000 F\n0.765608 0.249657 0.250000 F\n","nsites":14,"nelements":3,"elements":["Li","Fe","F"],"chemical_system":"F-Fe-Li","density":3.1537585173566174,"density_atomic":0.09123393148943489,"volume":153.4516793417067,"volume_molar":6.600768663243871,"formula_full":"Li4 Fe2 F8","formula_reduced":"Li2FeF4","formula_anonymous":"AB2C4","energy_above_hull":0.3230638042857142,"spacegroup":63},{"id":"jvasp-98249","created_at":"2022-09-04T14:36:18.357719Z","updated_at":"2022-09-04T14:36:18.357733Z","structure_string":"Rb8 Sb4 Au4 S16\n1.0\n6.727327 -0.000000 0.000000\n0.000000 7.203863 0.000000\n0.000000 0.000000 20.203469\nRb Sb Au S\n8 4 4 16\ndirect\n0.299449 0.750000 0.011911 Rb\n0.909498 0.250000 0.670910 Rb\n0.700552 0.250000 0.988089 Rb\n0.299449 0.250000 0.488089 Rb\n0.090502 0.750000 0.329090 Rb\n0.090502 0.250000 0.170910 Rb\n0.700552 0.750000 0.511911 Rb\n0.909498 0.750000 0.829090 Rb\n0.793568 0.750000 0.109549 Sb\n0.793568 0.250000 0.390451 Sb\n0.206432 0.250000 0.890451 Sb\n0.206432 0.750000 0.609549 Sb\n0.597138 0.500000 0.250000 Au\n0.402862 0.500000 0.750000 Au\n0.597138 0.000000 0.250000 Au\n0.402862 0.000000 0.750000 Au\n0.801652 0.750000 0.993108 S\n0.897187 0.750000 0.662413 S\n0.399123 0.523862 0.864325 S\n0.600877 0.023862 0.135675 S\n0.399123 0.476138 0.635675 S\n0.198348 0.750000 0.493108 S\n0.897187 0.250000 0.837587 S\n0.198348 0.250000 0.006892 S\n0.600877 0.976137 0.364325 S\n0.102814 0.250000 0.337587 S\n0.399123 0.023862 0.635675 S\n0.801652 0.250000 0.506892 S\n0.600877 0.523862 0.364325 S\n0.102814 0.750000 0.162413 S\n0.600877 0.476138 0.135675 S\n0.399123 0.976137 0.864325 S\n","nsites":32,"nelements":4,"elements":["Rb","Sb","Au","S"],"chemical_system":"Au-Rb-S-Sb","density":4.191880914806384,"density_atomic":0.03268255866941771,"volume":979.1155069490809,"volume_molar":18.426160634831636,"formula_full":"Rb8 Sb4 Au4 S16","formula_reduced":"Rb2SbAuS4","formula_anonymous":"ABC2D4","energy_above_hull":1.03596545875,"spacegroup":57},{"id":"jvasp-68390","created_at":"2022-09-04T14:36:18.353990Z","updated_at":"2022-09-04T14:36:18.354010Z","structure_string":"Hf1 Be2 Se1\n1.0\n3.167745 0.000000 -0.000000\n0.000000 3.167745 -0.000000\n0.000000 0.000000 5.672606\nHf Be Se\n1 2 1\ndirect\n0.500001 0.500001 0.000000 Hf\n0.000000 0.000000 0.699674 Be\n0.000000 0.000000 0.300327 Be\n0.500001 0.500001 0.500000 Se\n","nsites":4,"nelements":3,"elements":["Hf","Be","Se"],"chemical_system":"Be-Hf-Se","density":8.03613526732558,"density_atomic":0.07027113094699303,"volume":56.92237973254313,"volume_molar":8.569864578588648,"formula_full":"Hf1 Be2 Se1","formula_reduced":"HfBe2Se","formula_anonymous":"ABC2","energy_above_hull":2.6526346416666664,"spacegroup":123},{"id":"jvasp-74356","created_at":"2022-09-04T14:36:18.353903Z","updated_at":"2022-09-04T14:36:18.353927Z","structure_string":"Mg2 Be1 W1\n1.0\n4.734412 -0.000000 -0.000000\n0.000000 4.734412 0.000000\n0.000000 0.000000 2.905718\nMg Be W\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 W\n","nsites":4,"nelements":3,"elements":["Mg","Be","W"],"chemical_system":"Be-Mg-W","density":6.156199104961092,"density_atomic":0.061414996356611275,"volume":65.13067226730207,"volume_molar":9.805651904678037,"formula_full":"Mg2 Be1 W1","formula_reduced":"Mg2BeW","formula_anonymous":"ABC2","energy_above_hull":2.18198605,"spacegroup":123},{"id":"jvasp-64645","created_at":"2022-09-04T14:36:18.353140Z","updated_at":"2022-09-04T14:36:18.353164Z","structure_string":"Ba4 Y1 In1\n1.0\n-0.000000 5.128701 5.128701\n5.128701 0.000000 5.128701\n5.128701 5.128701 -0.000000\nBa Y In\n4 1 1\ndirect\n0.127024 0.624325 0.624325 Ba\n0.624325 0.624325 0.624325 Ba\n0.624325 0.127024 0.624325 Ba\n0.624325 0.624325 0.127024 Ba\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 In\n","nsites":6,"nelements":3,"elements":["Ba","Y","In"],"chemical_system":"Ba-In-Y","density":4.634579166394573,"density_atomic":0.022238173415668975,"volume":269.80633201521897,"volume_molar":27.080195155582384,"formula_full":"Ba4 Y1 In1","formula_reduced":"Ba4YIn","formula_anonymous":"ABC4","energy_above_hull":0.32898655,"spacegroup":216},{"id":"jvasp-96792","created_at":"2022-09-04T14:36:18.351512Z","updated_at":"2022-09-04T14:36:18.351538Z","structure_string":"K12 Na2 Au4 I2 O16\n1.0\n7.068512 0.000000 -0.371036\n0.000000 9.744818 0.000000\n0.031701 0.000000 10.115422\nK Na Au I O\n12 2 4 2 16\ndirect\n0.599493 0.664126 0.588587 K\n0.750000 0.351996 0.750000 K\n0.117324 0.820879 0.587002 K\n0.250000 0.155822 0.750000 K\n0.099493 0.335874 0.088587 K\n0.750000 0.844178 0.250000 K\n0.617324 0.179121 0.087002 K\n0.900506 0.664126 0.911412 K\n0.250000 0.648004 0.250000 K\n0.400506 0.335874 0.411412 K\n0.882675 0.179121 0.412998 K\n0.382675 0.820879 0.912998 K\n0.750000 0.505841 0.250000 Na\n0.250000 0.494159 0.750000 Na\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.250000 0.044494 0.250000 Au\n0.750000 0.955506 0.750000 Au\n-0.000000 0.500000 0.500000 I\n0.500000 0.500000 -0.000000 I\n0.410156 0.336018 0.907921 O\n0.045044 0.417853 0.332055 O\n0.027233 0.944214 0.810077 O\n0.972766 0.055787 0.189922 O\n0.545044 0.582148 0.832055 O\n0.253997 0.573306 0.513012 O\n0.954955 0.582148 0.667944 O\n0.089843 0.336018 0.592079 O\n0.910156 0.663983 0.407921 O\n0.454955 0.417853 0.167944 O\n0.472767 0.944214 0.689922 O\n0.527233 0.055787 0.310077 O\n0.246002 0.573306 0.986987 O\n0.589843 0.663983 0.092079 O\n0.746002 0.426694 0.486987 O\n0.753997 0.426694 0.013012 O\n","nsites":36,"nelements":5,"elements":["K","Na","Au","I","O"],"chemical_system":"Au-I-K-Na-O","density":4.3196419029979065,"density_atomic":0.051658920399409725,"volume":696.8786750024948,"volume_molar":11.65750409307588,"formula_full":"K12 Na2 Au4 I2 O16","formula_reduced":"K6NaAu2IO8","formula_anonymous":"ABC2D6E8","energy_above_hull":0.8753364675,"spacegroup":13}]}