{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume_molar&page=3422","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume_molar&page=3420","results":[{"id":"jvasp-58902","created_at":"2022-09-04T14:37:00.271376Z","updated_at":"2022-09-04T14:37:00.271406Z","structure_string":"Nd2 Ta6 O18\n1.0\n0.000000 5.427409 -0.001854\n7.587940 0.000000 0.000000\n0.000000 -0.347692 -8.259442\nNd Ta O\n2 6 18\ndirect\n0.033287 0.750000 0.434951 Nd\n0.966713 0.250000 0.565048 Nd\n0.526594 0.492699 0.300573 Ta\n0.473406 0.992699 0.699426 Ta\n0.000000 0.500000 0.000000 Ta\n0.000000 0.000000 0.000000 Ta\n0.526594 0.007301 0.300573 Ta\n0.473406 0.507301 0.699426 Ta\n0.319706 0.448526 0.120219 O\n0.680294 0.948526 0.879780 O\n0.680294 0.551474 0.879780 O\n0.319706 0.051474 0.120219 O\n0.848036 0.942540 0.213957 O\n0.151965 0.442540 0.786042 O\n0.151965 0.057460 0.786042 O\n0.848036 0.557460 0.213957 O\n0.651267 0.250000 0.339606 O\n0.265705 0.038847 0.466495 O\n0.348734 0.750000 0.660394 O\n0.265705 0.461153 0.466495 O\n0.909982 0.250000 0.016941 O\n0.090018 0.750000 0.983058 O\n0.561477 0.250000 0.689502 O\n0.438524 0.750000 0.310497 O\n0.734295 0.538847 0.533504 O\n0.734295 0.961153 0.533504 O\n","nsites":26,"nelements":3,"elements":["Nd","Ta","O"],"chemical_system":"Nd-O-Ta","density":8.114255117703692,"density_atomic":0.07643635282162815,"volume":340.1522840928006,"volume_molar":7.878634364009055,"formula_full":"Nd2 Ta6 O18","formula_reduced":"NdTa3O9","formula_anonymous":"AB3C9","energy_above_hull":3.859721584615384,"spacegroup":11},{"id":"jvasp-88026","created_at":"2022-09-04T14:35:53.007063Z","updated_at":"2022-09-04T14:35:53.007081Z","structure_string":"Y1 Cu1 W2 O8\n1.0\n4.644339 0.038238 -1.954388\n-1.124653 5.551552 -2.126274\n-0.053565 0.079973 6.063651\nY Cu W O\n1 1 2 8\ndirect\n0.624637 0.723179 0.099650 Y\n0.124936 0.223457 0.099848 Cu\n0.869107 0.396109 0.581673 W\n0.380209 0.050264 0.617657 W\n0.134944 0.656139 0.836229 O\n0.630477 0.511635 0.353885 O\n0.165650 0.199351 0.803178 O\n0.593193 0.053765 0.405640 O\n0.618723 0.934664 0.845387 O\n0.114296 0.790269 0.363087 O\n0.656131 0.392582 0.793693 O\n0.083694 0.247082 0.396171 O\n","nsites":12,"nelements":4,"elements":["Y","Cu","W","O"],"chemical_system":"Cu-O-W-Y","density":6.855455493928338,"density_atomic":0.07643782429254048,"volume":156.9903396788738,"volume_molar":7.878482695886594,"formula_full":"Y1 Cu1 W2 O8","formula_reduced":"YCu(WO4)2","formula_anonymous":"ABC2D8","energy_above_hull":3.615197825,"spacegroup":2},{"id":"jvasp-109787","created_at":"2022-09-04T14:38:18.875120Z","updated_at":"2022-09-04T14:38:18.875142Z","structure_string":"Ba1 La1 Mn1 In1 O6\n1.0\n4.934660 -0.000000 2.849028\n1.644887 4.652442 2.849028\n-0.000000 -0.000000 5.698055\nBa La Mn In O\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500001 La\n0.250000 0.250000 0.250000 Mn\n0.750001 0.750000 0.750001 In\n0.486351 0.486351 0.013649 O\n0.013649 0.013649 0.486352 O\n0.013649 0.486351 0.486352 O\n0.486351 0.013649 0.013649 O\n0.486351 0.013649 0.486352 O\n0.013649 0.486351 0.013649 O\n","nsites":10,"nelements":5,"elements":["Ba","La","Mn","In","O"],"chemical_system":"Ba-In-La-Mn-O","density":6.8797309912288815,"density_atomic":0.07644254902266462,"volume":130.81719706959376,"volume_molar":7.877995745817532,"formula_full":"Ba1 La1 Mn1 In1 O6","formula_reduced":"BaLaMnInO6","formula_anonymous":"ABCDE6","energy_above_hull":2.124317918137931,"spacegroup":216},{"id":"jvasp-116659","created_at":"2022-09-04T14:38:44.679609Z","updated_at":"2022-09-04T14:38:44.679638Z","structure_string":"Sm2 Ga2 Fe12 Co3 C1\n1.0\n6.395578 0.009216 0.807797\n0.704088 6.356710 0.807797\n-0.008816 -0.007905 6.434403\nSm Ga Fe Co C\n2 2 12 3 1\ndirect\n0.656411 0.656411 0.639834 Sm\n0.343589 0.343589 0.360167 Sm\n0.894882 0.894882 0.897453 Ga\n0.105118 0.105118 0.102548 Ga\n0.714656 0.285345 0.000000 Fe\n0.000983 0.707551 0.290056 Fe\n0.292448 0.999016 0.709944 Fe\n0.999017 0.292448 0.709944 Fe\n0.707552 0.000983 0.290056 Fe\n0.285345 0.714656 0.000000 Fe\n0.154290 0.660278 0.657224 Fe\n0.660278 0.154290 0.657224 Fe\n0.654866 0.654866 0.152238 Fe\n0.845710 0.339722 0.342776 Fe\n0.339722 0.845710 0.342776 Fe\n0.345134 0.345134 0.847762 Fe\n-0.000000 -0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 C\n","nsites":20,"nelements":5,"elements":["Sm","Ga","Fe","Co","C"],"chemical_system":"C-Co-Fe-Ga-Sm","density":8.245378624675478,"density_atomic":0.07644401242256861,"volume":261.62938556186236,"volume_molar":7.877844934029234,"formula_full":"Sm2 Ga2 Fe12 Co3 C1","formula_reduced":"Sm2Ga2Fe12Co3C","formula_anonymous":"AB2C2D3E12","energy_above_hull":3.742527555,"spacegroup":12},{"id":"jvasp-59649","created_at":"2022-09-04T14:37:39.876481Z","updated_at":"2022-09-04T14:37:39.876501Z","structure_string":"Yb4 Sn4 O14\n1.0\n6.417918 -0.000000 3.705387\n2.139306 6.050871 3.705387\n0.000000 0.000000 7.410773\nYb Sn O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.000000 0.500000 0.000000 Sn\n0.086818 0.663183 0.086817 O\n0.663183 0.086817 0.663183 O\n0.663183 0.086817 0.086818 O\n0.625001 0.625000 0.625000 O\n0.913183 0.336817 0.336818 O\n0.336818 0.913182 0.336817 O\n0.336818 0.336817 0.913183 O\n0.913184 0.913182 0.336818 O\n0.913183 0.336817 0.913183 O\n0.086818 0.663183 0.663183 O\n0.336818 0.913182 0.913183 O\n0.375000 0.375000 0.375000 O\n0.663183 0.663183 0.086818 O\n0.086817 0.086817 0.663182 O\n","nsites":22,"nelements":3,"elements":["Yb","Sn","O"],"chemical_system":"O-Sn-Yb","density":8.025979315329716,"density_atomic":0.0764446527348026,"volume":287.7899135250328,"volume_molar":7.877778947981706,"formula_full":"Yb4 Sn4 O14","formula_reduced":"Yb2Sn2O7","formula_anonymous":"A2B2C7","energy_above_hull":1.662541615151515,"spacegroup":227},{"id":"jvasp-35622","created_at":"2022-09-04T14:37:40.340332Z","updated_at":"2022-09-04T14:37:40.340363Z","structure_string":"Ti4 Ga2 N2\n1.0\n1.509891 -2.615208 0.000000\n1.509891 2.615208 -0.000000\n0.000000 -0.000000 13.250719\nTi Ga N\n4 2 2\ndirect\n0.666667 0.333332 0.412998 Ti\n0.333332 0.666667 0.587002 Ti\n0.333332 0.666667 0.912998 Ti\n0.666667 0.333332 0.087002 Ti\n0.666667 0.333332 0.750000 Ga\n0.333332 0.666667 0.250000 Ga\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n","nsites":8,"nelements":3,"elements":["Ti","Ga","N"],"chemical_system":"Ga-N-Ti","density":5.695533859339645,"density_atomic":0.07644845529461945,"volume":104.64567229212611,"volume_molar":7.877387105850191,"formula_full":"Ti4 Ga2 N2","formula_reduced":"Ti2GaN","formula_anonymous":"ABC2","energy_above_hull":2.7667905604166667,"spacegroup":194},{"id":"jvasp-109138","created_at":"2022-09-04T14:38:19.142119Z","updated_at":"2022-09-04T14:38:19.142152Z","structure_string":"Ti4 Fe2 P3\n1.0\n6.196680 0.007563 0.000000\n-2.907828 5.472059 0.000000\n-0.000000 0.000000 3.469570\nTi Fe P\n4 2 3\ndirect\n0.409994 0.409994 0.500000 Ti\n0.576984 0.990742 0.500000 Ti\n0.990741 0.576984 0.500000 Ti\n0.759028 0.759028 -0.000000 Ti\n0.251436 0.003456 -0.000000 Fe\n0.003457 0.251436 -0.000000 Fe\n0.320068 0.662905 -0.000000 P\n0.662905 0.320068 -0.000000 P\n0.025285 0.025285 0.500000 P\n","nsites":9,"nelements":3,"elements":["Ti","Fe","P"],"chemical_system":"Fe-P-Ti","density":5.586813276340682,"density_atomic":0.07644963883677697,"volume":117.72455876757455,"volume_molar":7.8772651534136235,"formula_full":"Ti4 Fe2 P3","formula_reduced":"Ti4Fe2P3","formula_anonymous":"A2B3C4","energy_above_hull":3.975874537037037,"spacegroup":38},{"id":"jvasp-115491","created_at":"2022-09-04T14:38:44.021644Z","updated_at":"2022-09-04T14:38:44.021666Z","structure_string":"Rb1 B1 O2\n1.0\n2.907934 0.000000 0.000000\n0.000000 2.907934 -0.000000\n0.000000 -0.000000 6.187468\nRb B O\n1 1 2\ndirect\n0.499999 0.499999 0.576330 Rb\n0.000000 0.000000 0.109918 B\n0.000000 0.000000 0.313838 O\n0.499999 0.499999 0.009905 O\n","nsites":4,"nelements":3,"elements":["Rb","B","O"],"chemical_system":"B-O-Rb","density":4.071157150363921,"density_atomic":0.07645007834273358,"volume":52.321725323388,"volume_molar":7.877219867587477,"formula_full":"Rb1 B1 O2","formula_reduced":"RbBO2","formula_anonymous":"ABC2","energy_above_hull":1.841692395833333,"spacegroup":99},{"id":"jvasp-119996","created_at":"2022-09-04T14:38:53.904830Z","updated_at":"2022-09-04T14:38:53.904865Z","structure_string":"Zn1 Ag1 F3\n1.0\n4.028985 0.000000 0.000000\n-0.000000 4.028985 -0.000000\n0.000000 -0.000000 4.028985\nZn Ag F\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Zn\n0.000000 0.000000 0.000000 Ag\n0.499999 0.499999 0.000000 F\n0.499999 0.000000 0.499999 F\n0.000000 0.499999 0.499999 F\n","nsites":5,"nelements":3,"elements":["Zn","Ag","F"],"chemical_system":"Ag-F-Zn","density":5.846609009241161,"density_atomic":0.07645097928940489,"volume":65.40138591387455,"volume_molar":7.877127037448676,"formula_full":"Zn1 Ag1 F3","formula_reduced":"ZnAgF3","formula_anonymous":"ABC3","energy_above_hull":0.0010399999999999,"spacegroup":221},{"id":"jvasp-42004","created_at":"2022-09-04T14:37:37.027004Z","updated_at":"2022-09-04T14:37:37.027024Z","structure_string":"Li1 Ga1 Rh2\n1.0\n-0.000002 2.968531 2.968531\n2.968528 -0.000001 2.968530\n2.968522 2.968524 0.000005\nLi Ga Rh\n1 1 2\ndirect\n0.749997 0.749999 0.749999 Li\n0.249998 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Rh\n0.499998 0.499999 0.499999 Rh\n","nsites":4,"nelements":3,"elements":["Li","Ga","Rh"],"chemical_system":"Ga-Li-Rh","density":8.965529888507112,"density_atomic":0.07645516664516902,"volume":52.31824316810574,"volume_molar":7.876695616856027,"formula_full":"Li1 Ga1 Rh2","formula_reduced":"LiGaRh2","formula_anonymous":"ABC2","energy_above_hull":1.3774820812500002,"spacegroup":225},{"id":"jvasp-91799","created_at":"2022-09-04T14:36:08.494441Z","updated_at":"2022-09-04T14:36:08.494467Z","structure_string":"Li1 Nb1 F6\n1.0\n-2.560049 -4.434134 -0.000000\n2.560048 -4.434134 -0.000000\n-0.000000 -2.956089 4.608755\nLi Nb F\n1 1 6\ndirect\n0.499999 0.499999 0.500001 Li\n0.000000 0.000000 0.000000 Nb\n0.879037 0.631014 0.243961 F\n0.631014 0.245986 0.243961 F\n0.245986 0.879037 0.243961 F\n0.120962 0.368985 0.756040 F\n0.368985 0.754013 0.756040 F\n0.754013 0.120962 0.756040 F\n","nsites":8,"nelements":3,"elements":["Li","Nb","F"],"chemical_system":"F-Li-Nb","density":3.3936179600323935,"density_atomic":0.07645737142637657,"volume":104.633468961243,"volume_molar":7.876468478646204,"formula_full":"Li1 Nb1 F6","formula_reduced":"LiNbF6","formula_anonymous":"ABC6","energy_above_hull":0.3736188868749999,"spacegroup":148},{"id":"jvasp-93379","created_at":"2022-09-04T14:36:14.779385Z","updated_at":"2022-09-04T14:36:14.779420Z","structure_string":"B2 Pt4\n1.0\n-1.518980 -2.483398 -0.000000\n-1.518980 2.483398 0.000000\n0.000000 -0.000000 -10.401619\nB Pt\n2 4\ndirect\n0.673259 0.326741 0.750000 B\n0.326741 0.673259 0.250000 B\n0.669979 0.330021 0.115936 Pt\n0.330021 0.669979 0.884064 Pt\n0.330021 0.669979 0.615936 Pt\n0.669979 0.330021 0.384064 Pt\n","nsites":6,"nelements":2,"elements":["B","Pt"],"chemical_system":"B-Pt","density":16.969592019774062,"density_atomic":0.07645782334099885,"volume":78.47463788290491,"volume_molar":7.876421923681364,"formula_full":"B2 Pt4","formula_reduced":"BPt2","formula_anonymous":"AB2","energy_above_hull":2.827461794444445,"spacegroup":63}]}