{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=511","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=509","results":[{"id":"jvasp-112319","created_at":"2022-09-04T14:38:26.368992Z","updated_at":"2022-09-04T14:38:26.369017Z","structure_string":"Ti4 Fe1 Se8\n1.0\n5.505298 -0.074893 4.062333\n0.971844 5.419357 4.062333\n-0.086413 -0.071302 8.436584\nTi Fe Se\n4 1 8\ndirect\n0.735821 0.264180 0.499999 Ti\n0.264179 0.735821 0.499999 Ti\n0.743632 0.743633 0.008112 Ti\n0.256368 0.256368 0.991886 Ti\n0.000000 0.000000 0.000000 Fe\n0.447964 0.447964 0.332104 Se\n0.552036 0.552037 0.667895 Se\n0.553577 0.048118 0.167868 Se\n0.446422 0.951883 0.832130 Se\n0.951883 0.446424 0.832130 Se\n0.048117 0.553578 0.167868 Se\n0.958663 0.958664 0.329013 Se\n0.041337 0.041337 0.670985 Se\n","nsites":13,"nelements":3,"elements":["Ti","Fe","Se"],"chemical_system":"Fe-Se-Ti","density":5.711324314419424,"density_atomic":0.05086811686455901,"volume":255.56283191323325,"volume_molar":11.838733436967004,"formula_full":"Ti4 Fe1 Se8","formula_reduced":"Ti4FeSe8","formula_anonymous":"AB4C8","energy_above_hull":2.7422296743589745,"spacegroup":12},{"id":"jvasp-117311","created_at":"2022-09-04T14:38:26.431324Z","updated_at":"2022-09-04T14:38:26.431359Z","structure_string":"Li4 Mn2 Co2 O8\n1.0\n2.837012 0.001232 0.006664\n1.420461 9.346562 0.853019\n0.011734 -0.020727 4.959867\nLi Mn Co O\n4 2 2 8\ndirect\n0.124998 0.749997 0.375000 Li\n0.624997 0.749998 0.875002 Li\n0.874185 0.252417 0.629633 Li\n0.375816 0.247587 0.120366 Li\n0.499917 0.000320 0.499781 Mn\n0.750081 0.499679 0.250219 Mn\n0.000096 -0.000239 -0.000045 Co\n0.249903 0.500238 0.750045 Co\n0.446414 0.110533 0.813711 O\n0.803585 0.389467 0.936287 O\n0.696363 0.610687 0.563254 O\n0.553634 0.889312 0.186748 O\n0.943681 0.112496 0.312059 O\n0.306317 0.387506 0.437940 O\n0.193684 0.612268 0.063104 O\n0.056315 0.887729 0.686897 O\n","nsites":16,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.840601598105719,"density_atomic":0.12161942736500128,"volume":131.5579290797118,"volume_molar":4.95162729382576,"formula_full":"Li4 Mn2 Co2 O8","formula_reduced":"Li2MnCoO4","formula_anonymous":"ABC2D4","energy_above_hull":2.478164017672414,"spacegroup":12},{"id":"jvasp-112273","created_at":"2022-09-04T14:38:26.536223Z","updated_at":"2022-09-04T14:38:26.536245Z","structure_string":"B2 H2 Pb4 O8\n1.0\n6.451281 0.021736 2.871472\n3.917867 5.125409 2.871472\n0.018578 0.009222 7.385748\nB H Pb O\n2 2 4 8\ndirect\n0.329002 0.329002 0.655519 B\n0.670998 0.670999 0.344480 B\n0.460182 0.460182 0.377458 H\n0.539818 0.539818 0.622541 H\n0.052736 0.052735 0.731536 Pb\n0.947264 0.947265 0.268463 Pb\n0.658865 0.658865 0.920624 Pb\n0.341136 0.341136 0.079376 Pb\n0.408136 0.408136 0.732307 O\n0.591864 0.591864 0.267692 O\n0.371012 0.371012 0.442980 O\n0.628989 0.628989 0.557019 O\n0.213097 0.213096 0.781691 O\n0.786904 0.786904 0.218309 O\n0.744810 0.255190 -0.000000 O\n0.255190 0.744811 -0.000000 O\n","nsites":16,"nelements":4,"elements":["B","H","Pb","O"],"chemical_system":"B-H-O-Pb","density":6.693041071798978,"density_atomic":0.06577735701984068,"volume":243.244799196992,"volume_molar":9.15534012438888,"formula_full":"B2 H2 Pb4 O8","formula_reduced":"BH(PbO2)2","formula_anonymous":"ABC2D4","energy_above_hull":2.2941272779166666,"spacegroup":12},{"id":"jvasp-112266","created_at":"2022-09-04T14:38:26.451508Z","updated_at":"2022-09-04T14:38:26.451527Z","structure_string":"Tb6 Se4 N2 O2\n1.0\n7.958267 0.002552 1.014951\n6.991031 3.802566 1.014951\n0.020107 0.005118 9.735504\nTb Se N O\n6 4 2 2\ndirect\n0.391966 0.391967 0.944939 Tb\n0.608034 0.608034 0.055060 Tb\n0.045930 0.045930 0.739741 Tb\n0.954070 0.954071 0.260258 Tb\n0.196185 0.196186 0.325488 Tb\n0.803814 0.803815 0.674511 Tb\n0.212960 0.212961 0.850523 Se\n0.787039 0.787040 0.149476 Se\n0.371721 0.371721 0.472754 Se\n0.628279 0.628280 0.527245 Se\n0.096563 0.096563 0.188453 N\n0.903437 0.903438 0.811546 N\n0.536737 0.536738 0.861147 O\n0.463263 0.463263 0.138852 O\n","nsites":14,"nelements":4,"elements":["Tb","Se","N","O"],"chemical_system":"N-O-Se-Tb","density":7.499467021814257,"density_atomic":0.04756114032753698,"volume":294.3579549099724,"volume_molar":12.66189313066848,"formula_full":"Tb6 Se4 N2 O2","formula_reduced":"Tb3Se2NO","formula_anonymous":"ABC2D3","energy_above_hull":2.037254097619048,"spacegroup":12},{"id":"jvasp-117450","created_at":"2022-09-04T14:38:26.458265Z","updated_at":"2022-09-04T14:38:26.458287Z","structure_string":"Fe6 O2 F10\n1.0\n5.459361 -0.012747 1.710699\n1.084259 5.350624 1.710699\n0.051540 0.042043 7.368642\nFe O F\n6 2 10\ndirect\n0.678332 0.678331 0.845490 Fe\n0.333648 0.333647 0.689592 Fe\n0.666352 0.666351 0.310408 Fe\n0.321668 0.321668 0.154510 Fe\n0.000000 -0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.223207 0.223206 0.970795 O\n0.776793 0.776792 0.029205 O\n0.039898 0.631205 0.658369 F\n0.368794 0.960101 0.341632 F\n0.102642 0.102642 0.691964 F\n0.425933 0.425932 0.370181 F\n0.631206 0.039897 0.658369 F\n0.897358 0.897356 0.308036 F\n0.960103 0.368793 0.341632 F\n0.694794 0.305205 0.000000 F\n0.574068 0.574066 0.629819 F\n0.305206 0.694794 0.000000 F\n","nsites":18,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.311193673748313,"density_atomic":0.08389277389156291,"volume":214.55959989195517,"volume_molar":7.178378399770193,"formula_full":"Fe6 O2 F10","formula_reduced":"Fe3OF5","formula_anonymous":"AB3C5","energy_above_hull":1.3578168236111112,"spacegroup":12},{"id":"jvasp-112282","created_at":"2022-09-04T14:38:26.653003Z","updated_at":"2022-09-04T14:38:26.653031Z","structure_string":"Mn5 Cr1 O12\n1.0\n4.985606 0.002480 0.236159\n-2.512716 4.306104 0.236159\n0.402968 0.702103 8.942016\nMn Cr O\n5 1 12\ndirect\n0.166704 0.833352 0.499999 Mn\n0.666634 0.333295 0.000000 Mn\n0.333295 0.666633 0.000001 Mn\n0.833353 0.166704 0.499999 Mn\n0.500029 0.500029 0.499999 Mn\n-0.000036 -0.000036 0.000002 Cr\n0.700274 0.035734 0.892001 O\n0.628770 0.628769 0.108000 O\n-0.035804 0.299660 0.107998 O\n0.464239 0.130997 0.607884 O\n0.797749 0.797748 0.607907 O\n0.535817 0.869058 0.392118 O\n0.869059 0.535817 0.392118 O\n0.371159 0.371158 0.891999 O\n0.035734 0.700272 0.892001 O\n0.299660 -0.035803 0.107998 O\n0.130997 0.464238 0.607885 O\n0.202307 0.202307 0.392095 O\n","nsites":18,"nelements":3,"elements":["Mn","Cr","O"],"chemical_system":"Cr-Mn-O","density":4.52416235802783,"density_atomic":0.094550280177546,"volume":190.37489858517284,"volume_molar":6.369246869170198,"formula_full":"Mn5 Cr1 O12","formula_reduced":"Mn5CrO12","formula_anonymous":"AB5C12","energy_above_hull":3.735714200383142,"spacegroup":12},{"id":"jvasp-119231","created_at":"2022-09-04T14:38:26.570996Z","updated_at":"2022-09-04T14:38:26.571017Z","structure_string":"Mg9 Mn2 N8\n1.0\n7.816005 -0.027339 2.464317\n1.199044 4.132771 0.000000\n0.028606 -0.008299 7.076869\nMg Mn N\n9 2 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.077792 0.961104 0.787376 Mg\n0.922208 0.038895 0.212625 Mg\n0.661571 0.669215 0.428294 Mg\n0.338430 0.330784 0.571707 Mg\n0.811452 0.594274 0.952917 Mg\n0.188548 0.405726 0.047083 Mg\n0.341500 0.829249 0.254446 Mg\n0.658501 0.170750 0.745554 Mg\n0.582582 0.208709 0.202827 Mn\n0.417418 0.791290 0.797173 Mn\n0.219576 0.890211 0.015959 N\n0.780425 0.109788 0.984041 N\n0.358065 0.820967 0.580531 N\n0.641935 0.179032 0.419470 N\n0.656062 0.671968 0.740231 N\n0.343939 0.328031 0.259769 N\n0.931551 0.534224 0.252694 N\n0.068450 0.465775 0.747307 N\n","nsites":19,"nelements":3,"elements":["Mg","Mn","N"],"chemical_system":"Mg-Mn-N","density":3.2022796510169647,"density_atomic":0.08314682142091513,"volume":228.51144127105084,"volume_molar":7.242779287393375,"formula_full":"Mg9 Mn2 N8","formula_reduced":"Mg9(MnN4)2","formula_anonymous":"A2B8C9","energy_above_hull":2.751096417513612,"spacegroup":12},{"id":"jvasp-117416","created_at":"2022-09-04T14:38:26.585344Z","updated_at":"2022-09-04T14:38:26.585368Z","structure_string":"Li3 Cr2 Cu1 O6\n1.0\n4.900541 -0.268441 14.700906\n1.712440 2.322026 9.276316\n0.277819 -0.124597 9.709870\nLi Cr Cu O\n3 2 1 6\ndirect\n0.166667 0.500000 0.500000 Li\n0.488193 0.509078 0.509078 Li\n0.845140 0.490922 0.490923 Li\n0.005551 0.994141 0.994141 Cr\n0.327783 0.005859 0.005859 Cr\n0.666666 0.000000 0.000000 Cu\n0.202148 0.286911 0.286911 O\n0.587409 0.254714 0.254714 O\n0.131185 0.713089 0.713089 O\n0.964310 0.223900 0.223900 O\n0.369023 0.776101 0.776101 O\n0.745923 0.745287 0.745287 O\n","nsites":12,"nelements":4,"elements":["Li","Cr","Cu","O"],"chemical_system":"Cr-Cu-Li-O","density":4.400381480734015,"density_atomic":0.1118298228027042,"volume":107.30590194326788,"volume_molar":5.385093715675972,"formula_full":"Li3 Cr2 Cu1 O6","formula_reduced":"Li3Cr2CuO6","formula_anonymous":"AB2C3D6","energy_above_hull":2.4484138541666667,"spacegroup":12},{"id":"jvasp-109333","created_at":"2022-09-04T14:38:26.748989Z","updated_at":"2022-09-04T14:38:26.749021Z","structure_string":"La2 C2 I2\n1.0\n4.338935 0.020841 0.233063\n2.334688 3.657324 0.233063\n-0.011351 -0.006256 10.827974\nLa C I\n2 2 2\ndirect\n0.855366 0.855363 0.139220 La\n0.144637 0.144635 0.860780 La\n0.573684 0.573682 0.028713 C\n0.426319 0.426315 0.971286 C\n0.826581 0.826577 0.658716 I\n0.173422 0.173421 0.341283 I\n","nsites":6,"nelements":3,"elements":["La","C","I"],"chemical_system":"C-I-La","density":5.385818317416192,"density_atomic":0.03502348424488031,"volume":171.31362368314547,"volume_molar":17.194579265426192,"formula_full":"La2 C2 I2","formula_reduced":"LaCI","formula_anonymous":"ABC","energy_above_hull":1.900150425,"spacegroup":12},{"id":"jvasp-109194","created_at":"2022-09-04T14:38:26.908982Z","updated_at":"2022-09-04T14:38:26.909001Z","structure_string":"Cr3 Te2 Se2\n1.0\n6.389627 -0.002309 3.108755\n5.209025 3.700459 3.108755\n-0.001999 -0.000637 6.642084\nCr Te Se\n3 2 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.261434 0.261432 0.774749 Cr\n0.738568 0.738567 0.225249 Cr\n0.370399 0.370398 0.301473 Te\n0.629603 0.629601 0.698524 Te\n0.127217 0.127217 0.192348 Se\n0.872784 0.872782 0.807650 Se\n","nsites":7,"nelements":3,"elements":["Cr","Te","Se"],"chemical_system":"Cr-Se-Te","density":6.013365909542588,"density_atomic":0.04454219903806677,"volume":157.1543424252054,"volume_molar":13.520079587568956,"formula_full":"Cr3 Te2 Se2","formula_reduced":"Cr3(TeSe)2","formula_anonymous":"A2B2C3","energy_above_hull":3.04740920952381,"spacegroup":12},{"id":"jvasp-108867","created_at":"2022-09-04T14:38:26.913054Z","updated_at":"2022-09-04T14:38:26.913078Z","structure_string":"Na2 Pd1 O6\n1.0\n5.918761 -0.281183 1.522579\n-3.029508 5.092433 1.522579\n0.293680 0.489042 3.883519\nNa Pd O\n2 1 6\ndirect\n0.669858 0.330142 0.500000 Na\n0.330142 0.669857 0.500001 Na\n-0.000000 -0.000000 0.500000 Pd\n0.782722 0.068008 0.225019 O\n0.068007 0.782722 0.225020 O\n0.400222 0.400222 -0.035622 O\n0.217277 0.931991 0.774982 O\n0.931992 0.217278 0.774981 O\n0.599777 0.599778 0.035622 O\n","nsites":9,"nelements":3,"elements":["Na","Pd","O"],"chemical_system":"Na-O-Pd","density":3.9403493947301578,"density_atomic":0.08597727064286485,"volume":104.6788288661138,"volume_molar":7.0043404669298726,"formula_full":"Na2 Pd1 O6","formula_reduced":"Na2PdO6","formula_anonymous":"AB2C6","energy_above_hull":1.840072744444445,"spacegroup":12},{"id":"jvasp-24272","created_at":"2022-09-04T14:38:27.115852Z","updated_at":"2022-09-04T14:38:27.115871Z","structure_string":"Nd2 Ta2 Cl2 O7\n1.0\n-3.945806 -0.000002 -0.000114\n-0.000076 -6.955380 0.012971\n1.972862 3.128729 7.061052\nNd Ta Cl O\n2 2 2 7\ndirect\n0.307954 0.834215 0.615905 Nd\n0.692049 0.165784 0.384095 Nd\n0.965491 0.201845 0.930974 Ta\n0.034512 0.798154 0.069026 Ta\n0.677672 0.565906 0.355343 Cl\n0.322331 0.434093 0.644657 Cl\n0.455481 0.163108 0.910958 O\n0.544522 0.836891 0.089042 O\n0.918068 0.846777 0.836138 O\n0.000000 0.500000 -0.000000 O\n0.824992 0.069779 0.649984 O\n0.081934 0.153222 0.163862 O\n0.175010 0.930221 0.350017 O\n","nsites":13,"nelements":4,"elements":["Nd","Ta","Cl","O"],"chemical_system":"Cl-Nd-O-Ta","density":7.134436064866297,"density_atomic":0.06702890642737956,"volume":193.94617476095118,"volume_molar":8.984393571338519,"formula_full":"Nd2 Ta2 Cl2 O7","formula_reduced":"Nd2Ta2Cl2O7","formula_anonymous":"A2B2C2D7","energy_above_hull":2.947288771923077,"spacegroup":12}]}