{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_gap_direct&page=18","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_gap_direct&page=16","results":[{"id":"mp-1204577","created_at":"2022-09-04T14:39:08.171172Z","structure_string":"Te24 C96 F192\n1.0\n-13.777147 -13.777147 -0.000000\n-13.777147 0.000000 -13.777147\n-0.000000 -13.777147 -13.777147\nTe C F\n24 96 192\ndirect\n0.250000 0.750000 0.971526 Te\n0.528474 0.971526 0.750000 Te\n0.971526 0.528474 0.250000 Te\n0.750000 0.250000 0.528474 Te\n0.971526 0.250000 0.750000 Te\n0.750000 0.528474 0.971526 Te\n0.250000 0.971526 0.528474 Te\n0.528474 0.750000 0.250000 Te\n0.750000 0.971526 0.250000 Te\n0.971526 0.750000 0.528474 Te\n0.528474 0.250000 0.971526 Te\n0.250000 0.528474 0.750000 Te\n0.750000 0.250000 0.028474 Te\n0.471526 0.028474 0.250000 Te\n0.028474 0.471526 0.750000 Te\n0.250000 0.750000 0.471526 Te\n0.028474 0.750000 0.250000 Te\n0.250000 0.471526 0.028474 Te\n0.750000 0.028474 0.471526 Te\n0.471526 0.250000 0.750000 Te\n0.250000 0.028474 0.750000 Te\n0.028474 0.250000 0.471526 Te\n0.471526 0.750000 0.028474 Te\n0.750000 0.471526 0.250000 Te\n0.155732 0.766940 0.932801 C\n0.644527 0.932801 0.766940 C\n0.932801 0.644527 0.155732 C\n0.766940 0.155732 0.644527 C\n0.932801 0.155732 0.766940 C\n0.766940 0.644527 0.932801 C\n0.155732 0.932801 0.644527 C\n0.644527 0.766940 0.155732 C\n0.766940 0.932801 0.155732 C\n0.932801 0.766940 0.644527 C\n0.644527 0.155732 0.932801 C\n0.155732 0.644527 0.766940 C\n0.844268 0.233060 0.067199 C\n0.355473 0.067199 0.233060 C\n0.067199 0.355473 0.844268 C\n0.233060 0.844268 0.355473 C\n0.067199 0.844268 0.233060 C\n0.233060 0.355473 0.067199 C\n0.844268 0.067199 0.355473 C\n0.355473 0.233060 0.844268 C\n0.233060 0.067199 0.844268 C\n0.067199 0.233060 0.355473 C\n0.355473 0.844268 0.067199 C\n0.844268 0.355473 0.233060 C\n0.266940 0.655732 0.432801 C\n0.432801 0.144527 0.266940 C\n0.144527 0.432801 0.655732 C\n0.655732 0.266940 0.144527 C\n0.655732 0.432801 0.266940 C\n0.144527 0.266940 0.432801 C\n0.432801 0.655732 0.144527 C\n0.266940 0.144527 0.655732 C\n0.432801 0.266940 0.655732 C\n0.266940 0.432801 0.144527 C\n0.655732 0.144527 0.432801 C\n0.144527 0.655732 0.266940 C\n0.733060 0.344268 0.567199 C\n0.567199 0.855473 0.733060 C\n0.855473 0.567199 0.344268 C\n0.344268 0.733060 0.855473 C\n0.344268 0.567199 0.733060 C\n0.855473 0.733060 0.567199 C\n0.567199 0.344268 0.855473 C\n0.733060 0.855473 0.344268 C\n0.567199 0.733060 0.344268 C\n0.733060 0.567199 0.855473 C\n0.344268 0.855473 0.567199 C\n0.855473 0.344268 0.733060 C\n0.084245 0.832027 0.933308 C\n0.650420 0.933308 0.832027 C\n0.933308 0.650420 0.084245 C\n0.832027 0.084245 0.650420 C\n0.933308 0.084245 0.832027 C\n0.832027 0.650420 0.933308 C\n0.084245 0.933308 0.650420 C\n0.650420 0.832027 0.084245 C\n0.832027 0.933308 0.084245 C\n0.933308 0.832027 0.650420 C\n0.650420 0.084245 0.933308 C\n0.084245 0.650420 0.832027 C\n0.915755 0.167973 0.066692 C\n0.349580 0.066692 0.167973 C\n0.066692 0.349580 0.915755 C\n0.167973 0.915755 0.349580 C\n0.066692 0.915755 0.167973 C\n0.167973 0.349580 0.066692 C\n0.915755 0.066692 0.349580 C\n0.349580 0.167973 0.915755 C\n0.167973 0.066692 0.915755 C\n0.066692 0.167973 0.349580 C\n0.349580 0.915755 0.066692 C\n0.915755 0.349580 0.167973 C\n0.332027 0.584245 0.433308 C\n0.433308 0.150420 0.332027 C\n0.150420 0.433308 0.584245 C\n0.584245 0.332027 0.150420 C\n0.584245 0.433308 0.332027 C\n0.150420 0.332027 0.433308 C\n0.433308 0.584245 0.150420 C\n0.332027 0.150420 0.584245 C\n0.433308 0.332027 0.584245 C\n0.332027 0.433308 0.150420 C\n0.584245 0.150420 0.433308 C\n0.150420 0.584245 0.332027 C\n0.667973 0.415755 0.566692 C\n0.566692 0.849580 0.667973 C\n0.849580 0.566692 0.415755 C\n0.415755 0.667973 0.849580 C\n0.415755 0.566692 0.667973 C\n0.849580 0.667973 0.566692 C\n0.566692 0.415755 0.849580 C\n0.667973 0.849580 0.415755 C\n0.566692 0.667973 0.415755 C\n0.667973 0.566692 0.849580 C\n0.415755 0.849580 0.566692 C\n0.849580 0.415755 0.667973 C\n0.238583 0.872793 0.904918 F\n0.483707 0.904918 0.872793 F\n0.904918 0.483707 0.238583 F\n0.872793 0.238583 0.483707 F\n0.904918 0.238583 0.872793 F\n0.872793 0.483707 0.904918 F\n0.238583 0.904918 0.483707 F\n0.483707 0.872793 0.238583 F\n0.872793 0.904918 0.238583 F\n0.904918 0.872793 0.483707 F\n0.483707 0.238583 0.904918 F\n0.238583 0.483707 0.872793 F\n0.761417 0.127207 0.095082 F\n0.516293 0.095082 0.127207 F\n0.095082 0.516293 0.761417 F\n0.127207 0.761417 0.516293 F\n0.095082 0.761417 0.127207 F\n0.127207 0.516293 0.095082 F\n0.761417 0.095082 0.516293 F\n0.516293 0.127207 0.761417 F\n0.127207 0.095082 0.761417 F\n0.095082 0.127207 0.516293 F\n0.516293 0.761417 0.095082 F\n0.761417 0.516293 0.127207 F\n0.372793 0.738583 0.404918 F\n0.404918 0.983707 0.372793 F\n0.983707 0.404918 0.738583 F\n0.738583 0.372793 0.983707 F\n0.738583 0.404918 0.372793 F\n0.983707 0.372793 0.404918 F\n0.404918 0.738583 0.983707 F\n0.372793 0.983707 0.738583 F\n0.404918 0.372793 0.738583 F\n0.372793 0.404918 0.983707 F\n0.738583 0.983707 0.404918 F\n0.983707 0.738583 0.372793 F\n0.627207 0.261417 0.595082 F\n0.595082 0.016293 0.627207 F\n0.016293 0.595082 0.261417 F\n0.261417 0.627207 0.016293 F\n0.261417 0.595082 0.627207 F\n0.016293 0.627207 0.595082 F\n0.595082 0.261417 0.016293 F\n0.627207 0.016293 0.261417 F\n0.595082 0.627207 0.261417 F\n0.627207 0.595082 0.016293 F\n0.261417 0.016293 0.595082 F\n0.016293 0.261417 0.627207 F\n0.025881 0.841701 0.909533 F\n0.722885 0.909533 0.841701 F\n0.909533 0.722885 0.025881 F\n0.841701 0.025881 0.722885 F\n0.909533 0.025881 0.841701 F\n0.841701 0.722885 0.909533 F\n0.025881 0.909533 0.722885 F\n0.722885 0.841701 0.025881 F\n0.841701 0.909533 0.025881 F\n0.909533 0.841701 0.722885 F\n0.722885 0.025881 0.909533 F\n0.025881 0.722885 0.841701 F\n0.974119 0.158299 0.090467 F\n0.277115 0.090467 0.158299 F\n0.090467 0.277115 0.974119 F\n0.158299 0.974119 0.277115 F\n0.090467 0.974119 0.158299 F\n0.158299 0.277115 0.090467 F\n0.974119 0.090467 0.277115 F\n0.277115 0.158299 0.974119 F\n0.158299 0.090467 0.974119 F\n0.090467 0.158299 0.277115 F\n0.277115 0.974119 0.090467 F\n0.974119 0.277115 0.158299 F\n0.341701 0.525881 0.409533 F\n0.409533 0.222885 0.341701 F\n0.222885 0.409533 0.525881 F\n0.525881 0.341701 0.222885 F\n0.525881 0.409533 0.341701 F\n0.222885 0.341701 0.409533 F\n0.409533 0.525881 0.222885 F\n0.341701 0.222885 0.525881 F\n0.409533 0.341701 0.525881 F\n0.341701 0.409533 0.222885 F\n0.525881 0.222885 0.409533 F\n0.222885 0.525881 0.341701 F\n0.658299 0.474119 0.590467 F\n0.590467 0.777115 0.658299 F\n0.777115 0.590467 0.474119 F\n0.474119 0.658299 0.777115 F\n0.474119 0.590467 0.658299 F\n0.777115 0.658299 0.590467 F\n0.590467 0.474119 0.777115 F\n0.658299 0.777115 0.474119 F\n0.590467 0.658299 0.474119 F\n0.658299 0.590467 0.777115 F\n0.474119 0.777115 0.590467 F\n0.777115 0.474119 0.658299 F\n0.169403 0.705011 0.909280 F\n0.716306 0.909280 0.705011 F\n0.909280 0.716306 0.169403 F\n0.705011 0.169403 0.716306 F\n0.909280 0.169403 0.705011 F\n0.705011 0.716306 0.909280 F\n0.169403 0.909280 0.716306 F\n0.716306 0.705011 0.169403 F\n0.705011 0.909280 0.169403 F\n0.909280 0.705011 0.716306 F\n0.716306 0.169403 0.909280 F\n0.169403 0.716306 0.705011 F\n0.830597 0.294989 0.090720 F\n0.283694 0.090720 0.294989 F\n0.090720 0.283694 0.830597 F\n0.294989 0.830597 0.283694 F\n0.090720 0.830597 0.294989 F\n0.294989 0.283694 0.090720 F\n0.830597 0.090720 0.283694 F\n0.283694 0.294989 0.830597 F\n0.294989 0.090720 0.830597 F\n0.090720 0.294989 0.283694 F\n0.283694 0.830597 0.090720 F\n0.830597 0.283694 0.294989 F\n0.205011 0.669403 0.409280 F\n0.409280 0.216306 0.205011 F\n0.216306 0.409280 0.669403 F\n0.669403 0.205011 0.216306 F\n0.669403 0.409280 0.205011 F\n0.216306 0.205011 0.409280 F\n0.409280 0.669403 0.216306 F\n0.205011 0.216306 0.669403 F\n0.409280 0.205011 0.669403 F\n0.205011 0.409280 0.216306 F\n0.669403 0.216306 0.409280 F\n0.216306 0.669403 0.205011 F\n0.794989 0.330597 0.590720 F\n0.590720 0.783694 0.794989 F\n0.783694 0.590720 0.330597 F\n0.330597 0.794989 0.783694 F\n0.330597 0.590720 0.794989 F\n0.783694 0.794989 0.590720 F\n0.590720 0.330597 0.783694 F\n0.794989 0.783694 0.330597 F\n0.590720 0.794989 0.330597 F\n0.794989 0.590720 0.783694 F\n0.330597 0.783694 0.590720 F\n0.783694 0.330597 0.794989 F\n0.063176 0.895172 0.956637 F\n0.585016 0.956637 0.895172 F\n0.956637 0.585016 0.063176 F\n0.895172 0.063176 0.585016 F\n0.956637 0.063176 0.895172 F\n0.895172 0.585016 0.956637 F\n0.063176 0.956637 0.585016 F\n0.585016 0.895172 0.063176 F\n0.895172 0.956637 0.063176 F\n0.956637 0.895172 0.585016 F\n0.585016 0.063176 0.956637 F\n0.063176 0.585016 0.895172 F\n0.936824 0.104828 0.043363 F\n0.414984 0.043363 0.104828 F\n0.043363 0.414984 0.936824 F\n0.104828 0.936824 0.414984 F\n0.043363 0.936824 0.104828 F\n0.104828 0.414984 0.043363 F\n0.936824 0.043363 0.414984 F\n0.414984 0.104828 0.936824 F\n0.104828 0.043363 0.936824 F\n0.043363 0.104828 0.414984 F\n0.414984 0.936824 0.043363 F\n0.936824 0.414984 0.104828 F\n0.395172 0.563176 0.456637 F\n0.456637 0.085016 0.395172 F\n0.085016 0.456637 0.563176 F\n0.563176 0.395172 0.085016 F\n0.563176 0.456637 0.395172 F\n0.085016 0.395172 0.456637 F\n0.456637 0.563176 0.085016 F\n0.395172 0.085016 0.563176 F\n0.456637 0.395172 0.563176 F\n0.395172 0.456637 0.085016 F\n0.563176 0.085016 0.456637 F\n0.085016 0.563176 0.395172 F\n0.604828 0.436824 0.543363 F\n0.543363 0.914984 0.604828 F\n0.914984 0.543363 0.436824 F\n0.436824 0.604828 0.914984 F\n0.436824 0.543363 0.604828 F\n0.914984 0.604828 0.543363 F\n0.543363 0.436824 0.914984 F\n0.604828 0.914984 0.436824 F\n0.543363 0.604828 0.436824 F\n0.604828 0.543363 0.914984 F\n0.436824 0.914984 0.543363 F\n0.914984 0.436824 0.604828 F\n","nsites":312,"nelements":3,"elements":["Te","C","F"],"chemical_system":"C-F-Te","density":2.4965263969418325,"density_atomic":0.05965498234306339,"volume":5230.074467305227,"volume_molar":10.094950201087851,"formula_full":"Te24 C96 F192","formula_reduced":"Te(CF2)4","formula_anonymous":"AB4C8","energy":-1742.14255441,"energy_per_atom":-5.58379023849359,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1653.43855441,"band_gap":3.5365,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:45.276000Z","spacegroup":228},{"id":"mp-15740","created_at":"2022-09-04T14:39:08.174061Z","structure_string":"Sr4 Zn8 As8 O32\n1.0\n9.908130 0.000000 0.000000\n0.000000 8.743960 0.000000\n0.000000 0.299975 9.435859\nSr Zn As O\n4 8 8 32\ndirect\n0.916807 0.250039 0.615124 Sr\n0.416807 0.749961 0.884876 Sr\n0.083193 0.749961 0.384876 Sr\n0.583193 0.250039 0.115124 Sr\n0.686062 0.577637 0.450407 Zn\n0.186062 0.422363 0.049593 Zn\n0.313938 0.422363 0.549593 Zn\n0.813938 0.577637 0.950407 Zn\n0.926380 0.074005 0.220668 Zn\n0.426380 0.925995 0.279332 Zn\n0.073620 0.925995 0.779332 Zn\n0.573620 0.074005 0.720668 Zn\n0.416544 0.558353 0.250433 As\n0.916544 0.441647 0.249567 As\n0.583456 0.441647 0.749567 As\n0.083456 0.558353 0.750433 As\n0.204067 0.049228 0.062901 As\n0.704067 0.950772 0.437099 As\n0.795933 0.950772 0.937099 As\n0.295933 0.049228 0.562901 As\n0.430921 0.736734 0.167411 O\n0.930921 0.263266 0.332589 O\n0.569079 0.263266 0.832589 O\n0.069079 0.736734 0.667411 O\n0.633205 0.783430 0.499154 O\n0.133205 0.216570 0.000846 O\n0.366795 0.216570 0.500846 O\n0.866795 0.783430 0.999154 O\n0.701602 0.431216 0.616976 O\n0.201602 0.568784 0.883024 O\n0.298398 0.568784 0.383024 O\n0.798398 0.431216 0.116976 O\n0.706992 0.084345 0.567856 O\n0.206992 0.915655 0.932144 O\n0.293008 0.915655 0.432144 O\n0.793008 0.084345 0.067856 O\n0.875180 0.564570 0.382726 O\n0.375180 0.435430 0.117274 O\n0.124820 0.435430 0.617274 O\n0.624820 0.564570 0.882726 O\n0.897181 0.025768 0.802361 O\n0.397181 0.974232 0.697639 O\n0.102819 0.974232 0.197639 O\n0.602819 0.025768 0.302361 O\n0.934948 0.479707 0.812358 O\n0.434948 0.520293 0.687642 O\n0.065052 0.520293 0.187642 O\n0.565052 0.479707 0.312358 O\n0.631536 0.930268 0.880444 O\n0.131536 0.069732 0.619556 O\n0.368464 0.069732 0.119556 O\n0.868464 0.930268 0.380444 O\n","nsites":52,"nelements":4,"elements":["Sr","Zn","As","O"],"chemical_system":"As-O-Sr-Zn","density":4.032286771223366,"density_atomic":0.06360950891116347,"volume":817.4878393201052,"volume_molar":9.467359303796032,"formula_full":"Sr4 Zn8 As8 O32","formula_reduced":"SrZn2(AsO4)2","formula_anonymous":"AB2C2D8","energy":-323.25474667,"energy_per_atom":-6.216437435961538,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-301.27074667,"band_gap":2.8662,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0041438,"is_theoretical":false,"updated_at":"2021-11-28T01:34:37.553000Z","spacegroup":14},{"id":"mp-776023","created_at":"2022-09-04T14:39:08.331726Z","structure_string":"Cd8 Si8 O24\n1.0\n5.519971 0.000000 0.000000\n0.000000 9.745057 0.000000\n0.000000 0.000000 9.852316\nCd Si O\n8 8 24\ndirect\n0.250000 0.897398 0.000000 Cd\n0.250000 0.277742 0.000000 Cd\n0.750000 0.722258 0.000000 Cd\n0.750000 0.102602 0.000000 Cd\n0.250000 0.397398 0.500000 Cd\n0.250000 0.777742 0.500000 Cd\n0.750000 0.222258 0.500000 Cd\n0.750000 0.602602 0.500000 Cd\n0.083362 0.583261 0.209795 Si\n0.583362 0.416739 0.209795 Si\n0.083362 0.083261 0.290205 Si\n0.583362 0.916739 0.290205 Si\n0.416638 0.083261 0.709795 Si\n0.916638 0.916739 0.709795 Si\n0.916638 0.416739 0.790205 Si\n0.416638 0.583261 0.790205 Si\n0.091056 0.090375 0.124630 O\n0.591056 0.909625 0.124630 O\n0.568192 0.270252 0.131635 O\n0.068192 0.729748 0.131635 O\n0.826837 0.504390 0.158183 O\n0.326837 0.495610 0.158183 O\n0.326837 0.995610 0.341817 O\n0.826837 0.004390 0.341817 O\n0.068192 0.229748 0.368365 O\n0.568192 0.770252 0.368365 O\n0.091056 0.590375 0.375370 O\n0.591056 0.409625 0.375370 O\n0.908944 0.409625 0.624630 O\n0.408944 0.590375 0.624630 O\n0.431808 0.229748 0.631635 O\n0.931808 0.770252 0.631635 O\n0.173163 0.995610 0.658183 O\n0.673163 0.004390 0.658183 O\n0.173163 0.495610 0.841817 O\n0.673163 0.504390 0.841817 O\n0.931808 0.270252 0.868365 O\n0.431808 0.729748 0.868365 O\n0.408944 0.090375 0.875370 O\n0.908944 0.909625 0.875370 O\n","nsites":40,"nelements":3,"elements":["Cd","Si","O"],"chemical_system":"Cd-O-Si","density":4.724748711745973,"density_atomic":0.07547454068362586,"volume":529.9800388010572,"volume_molar":7.979035984125568,"formula_full":"Cd8 Si8 O24","formula_reduced":"CdSiO3","formula_anonymous":"ABC3","energy":-270.1860732,"energy_per_atom":-6.75465183,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-253.6980732,"band_gap":2.5256,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0025586,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.776000Z","spacegroup":60},{"id":"mp-1025787","created_at":"2022-09-04T14:39:08.240726Z","structure_string":"Mo1 W2 Se6\n1.0\n1.661978 -2.878630 0.000000\n1.661978 2.878630 0.000000\n0.000000 0.000000 30.713382\nMo W Se\n1 2 6\ndirect\n0.000000 0.000000 0.115631 Mo\n0.000000 0.000000 0.578336 W\n0.333333 0.666667 0.346999 W\n0.000000 0.000000 0.401718 Se\n0.333333 0.666667 0.061169 Se\n0.333333 0.666667 0.523578 Se\n0.333333 0.666667 0.170111 Se\n0.333333 0.666667 0.633070 Se\n0.000000 0.000000 0.292231 Se\n","nsites":9,"nelements":3,"elements":["Mo","W","Se"],"chemical_system":"Mo-Se-W","density":5.296585970386771,"density_atomic":0.030624834800102262,"volume":293.87913628745343,"volume_molar":19.664239168336312,"formula_full":"Mo1 W2 Se6","formula_reduced":"Mo(WSe3)2","formula_anonymous":"AB2C6","energy":-65.92433593,"energy_per_atom":-7.324926214444444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.09233593,"band_gap":1.1669,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002314,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.805000Z","spacegroup":156},{"id":"mp-1177582","created_at":"2022-09-04T14:39:08.260490Z","structure_string":"Li6 V6 P16 O58\n1.0\n4.893372 8.454436 0.000000\n-4.893372 8.454436 0.000000\n0.000000 0.140317 14.554857\nLi V P O\n6 6 16 58\ndirect\n0.322073 0.911129 0.554656 Li\n0.911129 0.322073 0.054656 Li\n0.772897 0.907509 0.059438 Li\n0.907509 0.772897 0.559438 Li\n0.069549 0.947126 0.010922 Li\n0.947126 0.069549 0.510922 Li\n0.998209 0.437374 0.253004 V\n0.001001 0.560376 0.747160 V\n0.437374 0.998209 0.753004 V\n0.560376 0.001001 0.247160 V\n0.439413 0.562485 0.247619 V\n0.562485 0.439413 0.747619 V\n0.303836 0.776348 0.840728 P\n0.312943 0.909424 0.340097 P\n0.776348 0.303836 0.340728 P\n0.671661 0.664386 0.132730 P\n0.664386 0.671661 0.632730 P\n0.909424 0.312943 0.840097 P\n0.086500 0.216453 0.662555 P\n0.776919 0.907989 0.842690 P\n0.216453 0.086500 0.162555 P\n0.907989 0.776919 0.342690 P\n0.087643 0.695577 0.167226 P\n0.333639 0.333049 0.361499 P\n0.333049 0.333639 0.861499 P\n0.221012 0.696077 0.660284 P\n0.695577 0.087643 0.667226 P\n0.696077 0.221012 0.160284 P\n0.212462 0.796286 0.580780 O\n0.346118 0.738617 0.326881 O\n0.196216 0.005902 0.083099 O\n0.344718 0.911288 0.826323 O\n0.458995 0.616735 0.827112 O\n0.526712 0.663120 0.180088 O\n0.616735 0.458995 0.327112 O\n0.796286 0.212462 0.080780 O\n0.738617 0.346118 0.826881 O\n0.514624 0.818965 0.674910 O\n0.470999 0.909733 0.320076 O\n0.663120 0.526712 0.680088 O\n0.676659 0.657131 0.030960 O\n0.657131 0.676659 0.530960 O\n0.818965 0.514624 0.174910 O\n0.619102 0.908398 0.825218 O\n0.671833 0.815558 0.169674 O\n0.911288 0.344718 0.326323 O\n0.011870 0.195884 0.758459 O\n0.005902 0.196216 0.583099 O\n0.977279 0.243070 0.930619 O\n0.909733 0.470999 0.820076 O\n0.815558 0.671833 0.669674 O\n0.083440 0.263393 0.165264 O\n0.908398 0.619102 0.325218 O\n0.739015 0.915735 0.322509 O\n0.195884 0.011870 0.258459 O\n0.243070 0.977279 0.430619 O\n0.802808 0.998871 0.589287 O\n0.263393 0.083440 0.665264 O\n0.076394 0.380431 0.671135 O\n0.915735 0.739015 0.822509 O\n0.182821 0.337339 0.318666 O\n0.076970 0.543082 0.175215 O\n0.998871 0.802808 0.089287 O\n0.965963 0.786916 0.434673 O\n0.017051 0.788624 0.263561 O\n0.085200 0.655849 0.659122 O\n0.337339 0.182821 0.818666 O\n0.380431 0.076394 0.171135 O\n0.183843 0.476579 0.813642 O\n0.325885 0.336838 0.962544 O\n0.336838 0.325885 0.462544 O\n0.336213 0.477588 0.316895 O\n0.543082 0.076970 0.675215 O\n0.476579 0.183843 0.313642 O\n0.263010 0.653128 0.168033 O\n0.194327 0.793383 0.754044 O\n0.213832 0.796604 0.925907 O\n0.381244 0.540468 0.672524 O\n0.477588 0.336213 0.816895 O\n0.540468 0.381244 0.172524 O\n0.655849 0.085200 0.159122 O\n0.786916 0.965963 0.934673 O\n0.788624 0.017051 0.763561 O\n0.653128 0.263010 0.668033 O\n0.796604 0.213832 0.425907 O\n0.793383 0.194327 0.254044 O\n","nsites":86,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.441730369663694,"density_atomic":0.07141141509878267,"volume":1204.2892565710551,"volume_molar":8.433022580030986,"formula_full":"Li6 V6 P16 O58","formula_reduced":"Li3V3P8O29","formula_anonymous":"A3B3C8D29","energy":-657.60700662,"energy_per_atom":-7.6465931002325584,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-607.56100662,"band_gap":1.2238,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.72e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.374000Z","spacegroup":9},{"id":"mp-1036840","created_at":"2022-09-04T14:39:08.273195Z","structure_string":"Mg30 Cd1 Ni1 O32\n1.0\n8.555805 0.000000 0.000000\n0.000000 8.555805 0.000000\n0.000000 0.000000 8.559226\nMg Cd Ni O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.251842 0.246977 Mg\n0.000000 0.251842 0.753023 Mg\n0.000000 0.748158 0.246977 Mg\n0.000000 0.748158 0.753023 Mg\n0.500000 0.249996 0.249584 Mg\n0.500000 0.249996 0.750416 Mg\n0.500000 0.750004 0.249584 Mg\n0.500000 0.750004 0.750416 Mg\n0.251842 0.000000 0.246977 Mg\n0.251842 0.000000 0.753023 Mg\n0.249996 0.500000 0.249584 Mg\n0.249996 0.500000 0.750416 Mg\n0.748158 0.000000 0.246977 Mg\n0.748158 0.000000 0.753023 Mg\n0.750004 0.500000 0.249584 Mg\n0.750004 0.500000 0.750416 Mg\n0.249445 0.249445 0.000000 Mg\n0.252299 0.252299 0.500000 Mg\n0.249445 0.750555 0.000000 Mg\n0.252299 0.747701 0.500000 Mg\n0.750555 0.249445 0.000000 Mg\n0.747701 0.252299 0.500000 Mg\n0.750555 0.750555 0.000000 Mg\n0.747701 0.747701 0.500000 Mg\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ni\n0.253133 0.000000 0.000000 O\n0.263744 0.000000 0.500000 O\n0.250295 0.500000 0.000000 O\n0.251977 0.500000 0.500000 O\n0.746867 0.000000 0.000000 O\n0.736256 0.000000 0.500000 O\n0.749705 0.500000 0.000000 O\n0.748023 0.500000 0.500000 O\n0.249373 0.249373 0.250103 O\n0.249373 0.249373 0.749897 O\n0.249373 0.750627 0.250103 O\n0.249373 0.750627 0.749897 O\n0.750627 0.249373 0.250103 O\n0.750627 0.249373 0.749897 O\n0.750627 0.750627 0.250103 O\n0.750627 0.750627 0.749897 O\n0.000000 0.000000 0.236224 O\n0.000000 0.000000 0.763776 O\n0.000000 0.500000 0.247797 O\n0.000000 0.500000 0.752203 O\n0.500000 0.000000 0.247797 O\n0.500000 0.000000 0.752203 O\n0.500000 0.500000 0.249463 O\n0.500000 0.500000 0.750537 O\n0.000000 0.253133 0.000000 O\n0.000000 0.263744 0.500000 O\n0.000000 0.746867 0.000000 O\n0.000000 0.736256 0.500000 O\n0.500000 0.250295 0.000000 O\n0.500000 0.251977 0.500000 O\n0.500000 0.749705 0.000000 O\n0.500000 0.748023 0.500000 O\n","nsites":64,"nelements":4,"elements":["Mg","Cd","Ni","O"],"chemical_system":"Cd-Mg-Ni-O","density":3.7428280905299665,"density_atomic":0.1021465551208706,"volume":626.5507429425146,"volume_molar":5.89558869887875,"formula_full":"Mg30 Cd1 Ni1 O32","formula_reduced":"Mg30CdNiO32","formula_anonymous":"ABC30D32","energy":-400.63527889,"energy_per_atom":-6.25992623265625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-376.11027889,"band_gap":3.3895,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.0058562,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.687000Z","spacegroup":123},{"id":"mp-1033059","created_at":"2022-09-04T14:39:08.323342Z","structure_string":"Ba1 Mg6 Al1 O8\n1.0\n8.613770 0.000000 0.000000\n0.000000 4.765860 -0.000000\n-0.000000 0.000000 4.765860\nBa Mg Al O\n1 6 1 8\ndirect\n0.500000 0.000000 0.000000 Ba\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.236982 0.000000 0.500000 Mg\n0.763018 -0.000000 0.500000 Mg\n0.236982 0.500000 0.000000 Mg\n0.763018 0.500000 -0.000000 Mg\n-0.000000 0.000000 0.000000 Al\n0.205060 0.000000 0.000000 O\n0.794940 -0.000000 -0.000000 O\n0.249837 0.500000 0.500000 O\n0.750163 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":16,"nelements":4,"elements":["Ba","Mg","Al","O"],"chemical_system":"Al-Ba-Mg-O","density":3.7186042603016016,"density_atomic":0.08177944338390487,"volume":195.64818905516032,"volume_molar":7.363880837057918,"formula_full":"Ba1 Mg6 Al1 O8","formula_reduced":"BaMg6AlO8","formula_anonymous":"ABC6D8","energy":-95.8637088,"energy_per_atom":-5.9914818,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.3677088,"band_gap":1.9621000000000004,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.143000Z","spacegroup":123},{"id":"mp-698267","created_at":"2022-09-04T14:39:08.330553Z","structure_string":"Co6 H6 C6 O18\n1.0\n6.873101 0.000000 0.000000\n1.024513 8.044706 0.000000\n1.406917 2.665854 8.863132\nCo H C O\n6 6 6 18\ndirect\n0.997055 0.033725 0.763302 Co\n0.263070 0.257751 0.614149 Co\n0.728775 0.141481 0.987262 Co\n0.002945 0.966275 0.236698 Co\n0.736930 0.742249 0.385851 Co\n0.271225 0.858519 0.012738 Co\n0.508239 0.886510 0.743015 H\n0.842285 0.440482 0.713014 H\n0.013377 0.715682 0.917399 H\n0.491761 0.113490 0.256985 H\n0.157715 0.559518 0.286986 H\n0.986623 0.284318 0.082601 H\n0.161404 0.463155 0.223296 C\n0.428945 0.235707 0.182815 C\n0.420177 0.566231 0.521337 C\n0.838596 0.536845 0.776704 C\n0.571055 0.764293 0.817185 C\n0.579823 0.433769 0.478663 C\n0.480108 0.290948 0.045583 O\n0.687629 0.669926 0.735311 O\n0.738108 0.970231 0.309931 O\n0.519892 0.709052 0.954417 O\n0.312371 0.330074 0.264689 O\n0.261892 0.029769 0.690069 O\n0.042775 0.461135 0.142286 O\n0.737554 0.048458 0.831858 O\n0.002184 0.254712 0.638467 O\n0.957225 0.538865 0.857714 O\n0.262446 0.951542 0.168142 O\n0.997816 0.745288 0.361533 O\n0.943506 0.173838 0.079869 O\n0.540654 0.276057 0.519991 O\n0.260514 0.506652 0.595011 O\n0.056494 0.826162 0.920131 O\n0.459346 0.723943 0.480009 O\n0.739486 0.493348 0.404989 O\n","nsites":36,"nelements":4,"elements":["Co","H","C","O"],"chemical_system":"C-Co-H-O","density":2.4386563594989004,"density_atomic":0.07346024634630587,"volume":490.0609757049957,"volume_molar":8.197822712995624,"formula_full":"Co6 H6 C6 O18","formula_reduced":"CoHCO3","formula_anonymous":"ABCD3","energy":-243.92500502,"energy_per_atom":-6.775694583888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-221.73100502,"band_gap":1.3156,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":13.9999228,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.097000Z","spacegroup":2},{"id":"mp-1020724","created_at":"2022-09-04T14:39:08.413669Z","structure_string":"Na14 Al8 P18 O64\n1.0\n14.223634 0.000000 0.000000\n0.000000 14.223634 0.000000\n0.000000 0.000000 6.237383\nNa Al P O\n14 8 18 64\ndirect\n0.923031 0.259025 0.592268 Na\n0.576969 0.759025 0.907732 Na\n0.076969 0.740975 0.592268 Na\n0.423031 0.240975 0.907732 Na\n0.740975 0.923031 0.407732 Na\n0.240975 0.576969 0.092268 Na\n0.259025 0.076969 0.407732 Na\n0.759025 0.423031 0.092268 Na\n0.000000 0.500000 0.815384 Na\n0.500000 0.000000 0.684616 Na\n0.500000 0.000000 0.184616 Na\n0.000000 0.500000 0.315384 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.820859 0.122122 0.137133 Al\n0.679141 0.622122 0.362867 Al\n0.179141 0.877878 0.137133 Al\n0.320859 0.377878 0.362867 Al\n0.877878 0.820859 0.862867 Al\n0.377878 0.679141 0.637133 Al\n0.122122 0.179141 0.862867 Al\n0.622122 0.320859 0.637133 Al\n0.127722 0.242042 0.350081 P\n0.372278 0.742042 0.149919 P\n0.872278 0.757958 0.350081 P\n0.627722 0.257958 0.149919 P\n0.757958 0.127722 0.649919 P\n0.257958 0.372278 0.850081 P\n0.242042 0.872278 0.649919 P\n0.742042 0.627722 0.850081 P\n0.961791 0.299637 0.100539 P\n0.538209 0.799637 0.399461 P\n0.038209 0.700363 0.100539 P\n0.461791 0.200363 0.399461 P\n0.700363 0.961791 0.899461 P\n0.200363 0.538209 0.600539 P\n0.299637 0.038209 0.899461 P\n0.799637 0.461791 0.600539 P\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.500000 P\n0.927066 0.398983 0.060897 O\n0.572934 0.898983 0.439103 O\n0.072934 0.601017 0.060897 O\n0.427066 0.101017 0.439103 O\n0.601017 0.927066 0.939103 O\n0.101017 0.572934 0.560897 O\n0.398983 0.072934 0.939103 O\n0.898983 0.427066 0.560897 O\n0.041937 0.313645 0.288130 O\n0.458063 0.813645 0.211870 O\n0.958063 0.686355 0.288130 O\n0.541937 0.186355 0.211870 O\n0.686355 0.041937 0.711870 O\n0.186355 0.458063 0.788130 O\n0.313645 0.958063 0.711870 O\n0.813645 0.541937 0.788130 O\n0.887505 0.235991 0.204022 O\n0.612495 0.735991 0.295978 O\n0.112495 0.764009 0.204022 O\n0.387505 0.264009 0.295978 O\n0.764009 0.887505 0.795978 O\n0.264009 0.612495 0.704022 O\n0.235991 0.112495 0.795978 O\n0.735991 0.387505 0.704022 O\n0.010903 0.255967 0.906588 O\n0.489097 0.755967 0.593412 O\n0.989097 0.744033 0.906588 O\n0.510903 0.244033 0.593412 O\n0.744033 0.010903 0.093412 O\n0.244033 0.489097 0.406588 O\n0.255967 0.989097 0.093412 O\n0.755967 0.510903 0.406588 O\n0.211476 0.304881 0.379291 O\n0.288524 0.804881 0.120709 O\n0.788524 0.695119 0.379291 O\n0.711476 0.195119 0.120709 O\n0.695119 0.211476 0.620709 O\n0.195119 0.288524 0.879291 O\n0.304881 0.788524 0.620709 O\n0.804881 0.711476 0.879291 O\n0.096468 0.192818 0.557150 O\n0.403532 0.692818 0.942850 O\n0.903532 0.807182 0.557150 O\n0.596468 0.307182 0.942850 O\n0.807182 0.096468 0.442850 O\n0.307182 0.403532 0.057150 O\n0.192818 0.903532 0.442850 O\n0.692818 0.596468 0.057150 O\n0.137300 0.168714 0.171636 O\n0.362700 0.668714 0.328364 O\n0.862700 0.831286 0.171636 O\n0.637300 0.331286 0.328364 O\n0.831286 0.137300 0.828364 O\n0.331286 0.362700 0.671636 O\n0.168714 0.862700 0.828364 O\n0.668714 0.637300 0.671636 O\n0.931648 0.052253 0.152503 O\n0.568352 0.552253 0.347497 O\n0.068352 0.947747 0.152503 O\n0.431648 0.447747 0.347497 O\n0.947747 0.931648 0.847497 O\n0.447747 0.568352 0.652503 O\n0.052253 0.068352 0.847497 O\n0.552253 0.431648 0.652503 O\n","nsites":104,"nelements":4,"elements":["Na","Al","P","O"],"chemical_system":"Al-Na-O-P","density":2.788670254929091,"density_atomic":0.0824156692940858,"volume":1261.8959585087434,"volume_molar":7.307033737129588,"formula_full":"Na14 Al8 P18 O64","formula_reduced":"Na7Al4P9O32","formula_anonymous":"A4B7C9D32","energy":-759.5859362399999,"energy_per_atom":-7.303710925384615,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-715.61793624,"band_gap":4.7512,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:30.600000Z","spacegroup":114},{"id":"mp-1112651","created_at":"2022-09-04T14:39:08.442262Z","structure_string":"Cs3 In1 Br6\n1.0\n0.000000 6.114920 6.114920\n6.114920 0.000000 6.114920\n6.114920 6.114920 0.000000\nCs In Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 In\n0.778282 0.221718 0.221718 Br\n0.221718 0.221718 0.778282 Br\n0.221718 0.778282 0.778282 Br\n0.221718 0.778282 0.221718 Br\n0.778282 0.221718 0.778282 Br\n0.778282 0.778282 0.221718 Br\n","nsites":10,"nelements":3,"elements":["Cs","In","Br"],"chemical_system":"Br-Cs-In","density":3.6056020966752396,"density_atomic":0.021867425993838306,"volume":457.30119323681487,"volume_molar":27.539321553880594,"formula_full":"Cs3 In1 Br6","formula_reduced":"Cs3InBr6","formula_anonymous":"AB3C6","energy":-32.55904734,"energy_per_atom":-3.255904734,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.35504734,"band_gap":2.6733,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001226,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.472000Z","spacegroup":225},{"id":"mp-1212065","created_at":"2022-09-04T14:39:08.494174Z","structure_string":"K8 H4 Ru4 Cl20\n1.0\n7.362611 0.000000 0.000000\n0.000000 9.313602 0.000000\n0.000000 0.000000 13.766686\nK H Ru Cl\n8 4 4 20\ndirect\n0.851467 0.500402 0.851462 K\n0.148533 0.499598 0.148538 K\n0.351467 0.499598 0.648538 K\n0.148533 0.000402 0.148538 K\n0.648533 0.500402 0.351462 K\n0.851467 0.999598 0.851462 K\n0.648533 0.999598 0.351462 K\n0.351467 0.000402 0.648538 K\n0.944126 0.750000 0.509357 H\n0.055874 0.250000 0.490643 H\n0.444126 0.250000 0.990643 H\n0.555874 0.750000 0.009357 H\n0.814982 0.750000 0.602694 Ru\n0.185018 0.250000 0.397306 Ru\n0.314982 0.250000 0.897306 Ru\n0.685018 0.750000 0.102694 Ru\n0.604346 0.750000 0.752901 Cl\n0.395654 0.250000 0.247099 Cl\n0.104346 0.250000 0.747099 Cl\n0.895654 0.750000 0.252901 Cl\n0.823069 0.504057 0.596931 Cl\n0.176931 0.495943 0.403069 Cl\n0.323069 0.495943 0.903069 Cl\n0.176931 0.004057 0.403069 Cl\n0.676931 0.504057 0.096931 Cl\n0.823069 0.995943 0.596931 Cl\n0.676931 0.995943 0.096931 Cl\n0.323069 0.004057 0.903069 Cl\n0.078495 0.750000 0.703369 Cl\n0.921505 0.250000 0.296631 Cl\n0.578495 0.250000 0.796631 Cl\n0.421505 0.750000 0.203369 Cl\n0.554447 0.750000 0.498977 Cl\n0.445553 0.250000 0.501023 Cl\n0.054447 0.250000 0.001023 Cl\n0.945553 0.750000 0.998977 Cl\n","nsites":36,"nelements":4,"elements":["K","H","Ru","Cl"],"chemical_system":"Cl-H-K-Ru","density":2.515673230738521,"density_atomic":0.03813498354955673,"volume":944.0150918963345,"volume_molar":15.791643786011281,"formula_full":"K8 H4 Ru4 Cl20","formula_reduced":"K2HRuCl5","formula_anonymous":"ABC2D5","energy":-146.64101633,"energy_per_atom":-4.073361564722223,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-134.36101633,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.0073001,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.650000Z","spacegroup":62},{"id":"mp-1197790","created_at":"2022-09-04T14:39:09.428632Z","structure_string":"Ga8 H64 N16 O8 F40\n1.0\n9.344287 0.000000 0.000000\n0.000000 11.133112 0.000000\n0.000000 0.000000 11.284531\nGa H N O F\n8 64 16 8 40\ndirect\n0.719316 0.113392 0.938583 Ga\n0.219316 0.386608 0.061417 Ga\n0.280684 0.613392 0.561417 Ga\n0.780684 0.886608 0.438583 Ga\n0.280684 0.886608 0.061417 Ga\n0.780684 0.613392 0.938583 Ga\n0.719316 0.386608 0.438583 Ga\n0.219316 0.113392 0.561417 Ga\n0.496814 0.238757 0.803173 H\n0.996814 0.261243 0.196827 H\n0.503186 0.738757 0.696827 H\n0.003186 0.761243 0.303173 H\n0.503186 0.761243 0.196827 H\n0.003186 0.738757 0.803173 H\n0.496814 0.261243 0.303173 H\n0.996814 0.238757 0.696827 H\n0.551127 0.314084 0.678062 H\n0.051127 0.185916 0.321938 H\n0.448873 0.814084 0.821938 H\n0.948873 0.685916 0.178062 H\n0.448873 0.685916 0.321938 H\n0.948873 0.814084 0.678062 H\n0.551127 0.185916 0.178062 H\n0.051127 0.314084 0.821938 H\n0.369399 0.296103 0.708669 H\n0.869399 0.203897 0.291331 H\n0.630601 0.796103 0.791331 H\n0.130601 0.703897 0.208669 H\n0.630601 0.703897 0.291331 H\n0.130601 0.796103 0.708669 H\n0.369399 0.203897 0.208669 H\n0.869399 0.296103 0.791331 H\n0.388039 0.475991 0.781611 H\n0.888039 0.024009 0.218389 H\n0.611961 0.975991 0.718389 H\n0.111961 0.524009 0.281611 H\n0.611961 0.524009 0.218389 H\n0.111961 0.975991 0.781611 H\n0.388039 0.024009 0.281611 H\n0.888039 0.475991 0.718389 H\n0.571026 0.466223 0.801872 H\n0.071026 0.033777 0.198128 H\n0.428974 0.966223 0.698128 H\n0.928974 0.533777 0.301872 H\n0.428974 0.533777 0.198128 H\n0.928974 0.966223 0.801872 H\n0.571026 0.033777 0.301872 H\n0.071026 0.466223 0.698128 H\n0.453219 0.403163 0.905817 H\n0.953219 0.096837 0.094183 H\n0.546781 0.903163 0.594183 H\n0.046781 0.596837 0.405817 H\n0.546781 0.596837 0.094183 H\n0.046781 0.903163 0.905817 H\n0.453219 0.096837 0.405817 H\n0.953219 0.403163 0.594183 H\n0.748991 0.882686 0.968150 H\n0.248991 0.617314 0.031850 H\n0.251009 0.382686 0.531850 H\n0.751009 0.117314 0.468150 H\n0.251009 0.117314 0.031850 H\n0.751009 0.382686 0.968150 H\n0.748991 0.617314 0.468150 H\n0.248991 0.882686 0.531850 H\n0.629360 0.928849 0.060171 H\n0.129360 0.571151 0.939829 H\n0.370640 0.428849 0.439829 H\n0.870640 0.071151 0.560171 H\n0.370640 0.071151 0.939829 H\n0.870640 0.428849 0.060171 H\n0.629360 0.571151 0.560171 H\n0.129360 0.928849 0.439829 H\n0.471624 0.310501 0.746708 N\n0.971624 0.189499 0.253292 N\n0.528376 0.810501 0.753292 N\n0.028376 0.689499 0.246708 N\n0.528376 0.689499 0.253292 N\n0.028376 0.810501 0.746708 N\n0.471624 0.189499 0.246708 N\n0.971624 0.310501 0.753292 N\n0.471871 0.421864 0.813188 N\n0.971871 0.078136 0.186812 N\n0.528129 0.921864 0.686812 N\n0.028129 0.578136 0.313188 N\n0.528129 0.578136 0.186812 N\n0.028129 0.921864 0.813188 N\n0.471871 0.078136 0.313188 N\n0.971871 0.421864 0.686812 N\n0.719675 0.951931 0.018489 O\n0.219675 0.548069 0.981511 O\n0.280325 0.451931 0.481511 O\n0.780325 0.048069 0.518489 O\n0.280325 0.048069 0.981511 O\n0.780325 0.451931 0.018489 O\n0.719675 0.548069 0.518489 O\n0.219675 0.951931 0.481511 O\n0.725473 0.274025 0.869267 F\n0.225473 0.225975 0.130733 F\n0.274527 0.774025 0.630733 F\n0.774527 0.725975 0.369267 F\n0.274527 0.725975 0.130733 F\n0.774527 0.774025 0.869267 F\n0.725473 0.225975 0.369267 F\n0.225473 0.274025 0.630733 F\n0.522099 0.108300 0.885006 F\n0.022099 0.391700 0.114994 F\n0.477901 0.608300 0.614994 F\n0.977901 0.891700 0.385006 F\n0.477901 0.891700 0.114994 F\n0.977901 0.608300 0.885006 F\n0.522099 0.391700 0.385006 F\n0.022099 0.108300 0.614994 F\n0.766648 0.033311 0.791754 F\n0.266648 0.466689 0.208246 F\n0.233352 0.533311 0.708246 F\n0.733352 0.966689 0.291754 F\n0.233352 0.966689 0.208246 F\n0.733352 0.533311 0.791754 F\n0.766648 0.466689 0.291754 F\n0.266648 0.033311 0.708246 F\n0.920314 0.127187 0.967489 F\n0.420314 0.372813 0.032511 F\n0.079686 0.627187 0.532511 F\n0.579686 0.872813 0.467489 F\n0.079686 0.872813 0.032511 F\n0.579686 0.627187 0.967489 F\n0.920314 0.372813 0.467489 F\n0.420314 0.127187 0.532511 F\n0.674255 0.177706 0.089766 F\n0.174255 0.322294 0.910234 F\n0.325745 0.677706 0.410234 F\n0.825745 0.822294 0.589766 F\n0.325745 0.822294 0.910234 F\n0.825745 0.677706 0.089766 F\n0.674255 0.322294 0.589766 F\n0.174255 0.177706 0.410234 F\n","nsites":136,"nelements":5,"elements":["Ga","H","N","O","F"],"chemical_system":"F-Ga-H-N-O","density":2.453210107064889,"density_atomic":0.11584909552058051,"volume":1173.9409737199,"volume_molar":5.198263079171102,"formula_full":"Ga8 H64 N16 O8 F40","formula_reduced":"GaH8N2OF5","formula_anonymous":"ABC2D5E8","energy":-698.34629933,"energy_per_atom":-5.134899259779411,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-668.59429933,"band_gap":5.805400000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0020524,"is_theoretical":false,"updated_at":"2021-11-28T01:34:34.632000Z","spacegroup":61}]}