{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=98","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=96","results":[{"id":"jvasp-118441","created_at":"2022-09-04T14:38:52.913168Z","updated_at":"2022-09-04T14:38:52.913183Z","structure_string":"In1 H1 O1\n1.0\n3.768503 -0.000000 -0.000000\n-1.884252 3.263620 0.000000\n0.000000 -0.000000 3.755340\nIn H O\n1 1 1\ndirect\n0.333334 0.666668 0.000000 In\n0.000000 0.000000 0.000000 H\n0.666666 0.333334 0.000000 O\n","nsites":3,"nelements":3,"elements":["In","H","O"],"chemical_system":"H-In-O","density":4.739475506619847,"density_atomic":0.06495364693760804,"volume":46.18678305902799,"volume_molar":9.271443627768331,"formula_full":"In1 H1 O1","formula_reduced":"InHO","formula_anonymous":"ABC","energy_above_hull":1.3208678233333335,"spacegroup":187},{"id":"jvasp-118427","created_at":"2022-09-04T14:38:52.913145Z","updated_at":"2022-09-04T14:38:52.913166Z","structure_string":"H1 Pb1 I2\n1.0\n4.619938 0.000000 0.000000\n0.000000 4.619938 0.000000\n-0.000000 0.000000 6.360578\nH Pb I\n1 1 2\ndirect\n0.500000 0.500000 0.537221 H\n0.000000 0.000000 0.953778 Pb\n0.000000 0.000000 0.489327 I\n0.500000 0.500000 0.029676 I\n","nsites":4,"nelements":3,"elements":["H","Pb","I"],"chemical_system":"H-I-Pb","density":5.651165979228894,"density_atomic":0.029463959842160232,"volume":135.75907723972546,"volume_molar":20.439006814633473,"formula_full":"H1 Pb1 I2","formula_reduced":"HPbI2","formula_anonymous":"ABC2","energy_above_hull":0.5883608425,"spacegroup":99},{"id":"jvasp-118433","created_at":"2022-09-04T14:38:52.906942Z","updated_at":"2022-09-04T14:38:52.906969Z","structure_string":"Sn1 H1 I1\n1.0\n5.255628 -0.000000 0.000000\n-2.627814 4.551507 -0.000000\n0.000000 0.000000 3.639222\nSn H I\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Sn\n0.000000 0.000000 0.000000 H\n0.333334 0.666666 0.000000 I\n","nsites":3,"nelements":3,"elements":["Sn","H","I"],"chemical_system":"H-I-Sn","density":4.704280971757119,"density_atomic":0.03446139650849387,"volume":87.05393001878421,"volume_molar":17.475034009476932,"formula_full":"Sn1 H1 I1","formula_reduced":"SnHI","formula_anonymous":"ABC","energy_above_hull":0.9958559916666668,"spacegroup":187},{"id":"jvasp-120335","created_at":"2022-09-04T14:38:52.905002Z","updated_at":"2022-09-04T14:38:52.905028Z","structure_string":"Mg2 Se2\n1.0\n4.321654 -0.005553 1.090705\n2.817202 -6.391607 -1.957924\n-1.480150 2.284258 -3.128889\nMg Se\n2 2\ndirect\n0.132305 0.068110 0.192047 Mg\n0.632479 0.568147 -0.307168 Mg\n0.007014 0.454273 0.323443 Se\n0.506832 0.954219 0.822653 Se\n","nsites":4,"nelements":2,"elements":["Mg","Se"],"chemical_system":"Mg-Se","density":3.3494408866681256,"density_atomic":0.03906610079656275,"volume":102.39056159789415,"volume_molar":15.415259360949229,"formula_full":"Mg2 Se2","formula_reduced":"MgSe","formula_anonymous":"AB","energy_above_hull":0.0141949999999999,"spacegroup":8},{"id":"jvasp-120037","created_at":"2022-09-04T14:38:52.902936Z","updated_at":"2022-09-04T14:38:52.902971Z","structure_string":"Y1 Br1 O1\n1.0\n4.636120 0.000000 0.000000\n-2.318060 4.014997 0.000000\n0.000000 -0.000000 4.235119\nY Br O\n1 1 1\ndirect\n0.666668 0.333334 0.000000 Y\n0.000000 0.000000 0.000000 Br\n0.333334 0.666667 0.000000 O\n","nsites":3,"nelements":3,"elements":["Y","Br","O"],"chemical_system":"Br-O-Y","density":3.8928466009073883,"density_atomic":0.03805535198457869,"volume":78.8325384880345,"volume_molar":15.824688108102045,"formula_full":"Y1 Br1 O1","formula_reduced":"YBrO","formula_anonymous":"ABC","energy_above_hull":1.1448243516666667,"spacegroup":187},{"id":"jvasp-111922","created_at":"2022-09-04T14:38:52.899538Z","updated_at":"2022-09-04T14:38:52.899568Z","structure_string":"Li4 Ti3 Fe3 O12\n1.0\n5.547596 0.059972 -1.054120\n-0.414056 5.826395 -1.442928\n0.215964 -0.110993 6.405046\nLi Ti Fe O\n4 3 3 12\ndirect\n0.500000 -0.000000 0.000000 Li\n0.203789 0.649800 0.642318 Li\n0.000000 0.000000 0.000000 Li\n0.796210 0.350200 0.357682 Li\n0.809371 0.834871 0.360904 Ti\n0.500000 0.499999 -0.000000 Ti\n0.190628 0.165128 0.639096 Ti\n0.331421 0.834409 0.334014 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.668578 0.165590 0.665986 Fe\n0.746677 0.264483 0.989786 O\n0.072119 0.608487 0.315972 O\n0.240285 0.266684 0.977663 O\n0.569102 0.593538 0.321797 O\n0.759715 0.733316 0.022337 O\n0.416928 0.929616 0.655641 O\n0.253322 0.735516 0.010214 O\n0.583071 0.070383 0.344359 O\n0.924122 0.943975 0.668412 O\n0.430897 0.406461 0.678203 O\n0.075877 0.056024 0.331588 O\n0.927880 0.391512 0.684028 O\n","nsites":22,"nelements":4,"elements":["Li","Ti","Fe","O"],"chemical_system":"Fe-Li-O-Ti","density":4.24735817937022,"density_atomic":0.10599506230055664,"volume":207.5568382385343,"volume_molar":5.681529525331837,"formula_full":"Li4 Ti3 Fe3 O12","formula_reduced":"Li4Ti3(FeO4)3","formula_anonymous":"A3B3C4D12","energy_above_hull":2.9825765227272725,"spacegroup":2},{"id":"jvasp-118833","created_at":"2022-09-04T14:38:52.896497Z","updated_at":"2022-09-04T14:38:52.896517Z","structure_string":"Ca1 As2 H2\n1.0\n4.977825 0.000000 0.000000\n-2.488913 4.310923 -0.000000\n-0.000000 -0.000000 3.888198\nCa As H\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333334 0.666667 0.551582 As\n0.666667 0.333333 0.448419 As\n0.333334 0.666667 0.149383 H\n0.666667 0.333333 0.850618 H\n","nsites":5,"nelements":3,"elements":["Ca","As","H"],"chemical_system":"As-Ca-H","density":3.8198799841359685,"density_atomic":0.059925510377471125,"volume":83.43691974427873,"volume_molar":10.049377505617395,"formula_full":"Ca1 As2 H2","formula_reduced":"Ca(AsH)2","formula_anonymous":"AB2C2","energy_above_hull":1.970766784,"spacegroup":164},{"id":"jvasp-121185","created_at":"2022-09-04T14:38:52.889802Z","updated_at":"2022-09-04T14:38:52.889819Z","structure_string":"Li2 S1\n1.0\n3.824007 1.145064 -0.487852\n-0.993856 -3.880509 -0.341459\n0.689596 -3.988885 -3.992528\nLi S\n2 1\ndirect\n0.682911 0.224375 0.255581 Li\n0.682970 0.224126 0.755635 Li\n0.182953 0.224230 0.005629 S\n","nsites":3,"nelements":2,"elements":["Li","S"],"chemical_system":"Li-S","density":1.6591924199246462,"density_atomic":0.06523966942889133,"volume":45.98429186202242,"volume_molar":9.23079594473405,"formula_full":"Li2 S1","formula_reduced":"Li2S","formula_anonymous":"AB2","energy_above_hull":0.4638300000000001,"spacegroup":225},{"id":"jvasp-120593","created_at":"2022-09-04T14:38:52.889466Z","updated_at":"2022-09-04T14:38:52.889488Z","structure_string":"Li4 V4 O4 F12\n1.0\n7.186862 0.000000 0.000000\n-0.000000 5.122457 1.783193\n-0.000000 0.565291 8.699438\nLi V O F\n4 4 4 12\ndirect\n0.440297 0.703292 0.862826 Li\n0.059703 0.703292 0.362826 Li\n0.940297 0.296708 0.637174 Li\n0.559703 0.296709 0.137174 Li\n0.647899 0.844112 0.539351 V\n0.852101 0.844112 0.039351 V\n0.147899 0.155888 0.960649 V\n0.352101 0.155888 0.460648 V\n0.479860 0.025919 0.642040 O\n0.020140 0.025919 0.142040 O\n0.979860 0.974081 0.857960 O\n0.520140 0.974081 0.357960 O\n0.827766 0.078219 0.538851 F\n0.327766 0.921781 0.961149 F\n0.172234 0.921781 0.461149 F\n0.555744 0.538061 0.699841 F\n0.831066 0.631540 0.490685 F\n0.331066 0.368460 0.009315 F\n0.055744 0.461939 0.800159 F\n0.944256 0.538062 0.199841 F\n0.668933 0.631540 -0.009315 F\n0.168933 0.368460 0.509315 F\n0.444256 0.461939 0.300159 F\n0.672234 0.078220 0.038851 F\n","nsites":24,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":2.7771587358350196,"density_atomic":0.07667241831802385,"volume":313.0199950189673,"volume_molar":7.854376961244667,"formula_full":"Li4 V4 O4 F12","formula_reduced":"LiVOF3","formula_anonymous":"ABCD3","energy_above_hull":0.8209780912500002,"spacegroup":14},{"id":"jvasp-121192","created_at":"2022-09-04T14:38:52.887467Z","updated_at":"2022-09-04T14:38:52.887487Z","structure_string":"Li1 Te1\n1.0\n4.679895 0.000000 -0.000000\n-2.339947 4.052908 0.000000\n-0.000000 -0.000000 3.144610\nLi Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.333332 0.666667 0.000000 Te\n","nsites":2,"nelements":2,"elements":["Li","Te"],"chemical_system":"Li-Te","density":3.7457095906654616,"density_atomic":0.03353206889924212,"volume":59.644396115540694,"volume_molar":17.959347447649165,"formula_full":"Li1 Te1","formula_reduced":"LiTe","formula_anonymous":"AB","energy_above_hull":0.2023788833333334,"spacegroup":187},{"id":"jvasp-118737","created_at":"2022-09-04T14:38:52.881942Z","updated_at":"2022-09-04T14:38:52.881973Z","structure_string":"Mn1 F2\n1.0\n2.993578 0.000000 0.000000\n0.000000 2.425902 0.000000\n0.000000 0.000000 4.479256\nMn F\n1 2\ndirect\n0.466673 0.000000 0.000000 Mn\n-0.033336 0.000000 0.253147 F\n-0.033336 0.000000 0.746855 F\n","nsites":3,"nelements":2,"elements":["Mn","F"],"chemical_system":"F-Mn","density":4.744145402342435,"density_atomic":0.0922256106669348,"volume":32.52892529857301,"volume_molar":6.529792230651056,"formula_full":"Mn1 F2","formula_reduced":"MnF2","formula_anonymous":"AB2","energy_above_hull":0.7030526021264367,"spacegroup":47},{"id":"jvasp-117658","created_at":"2022-09-04T14:38:52.874431Z","updated_at":"2022-09-04T14:38:52.874468Z","structure_string":"Ca1 Ag1 O1\n1.0\n5.741371 -1.499905 0.000000\n-4.049422 4.341109 0.000000\n0.000000 0.000000 3.490083\nCa Ag O\n1 1 1\ndirect\n0.040674 0.293083 0.000000 Ca\n0.305019 0.027641 0.000000 Ag\n0.654308 0.679278 0.000000 O\n","nsites":3,"nelements":3,"elements":["Ca","Ag","O"],"chemical_system":"Ag-Ca-O","density":4.138070248787182,"density_atomic":0.04560056784978028,"volume":65.78865442822452,"volume_molar":13.206284579258844,"formula_full":"Ca1 Ag1 O1","formula_reduced":"CaAgO","formula_anonymous":"ABC","energy_above_hull":0.1677570600000002,"spacegroup":38}]}