{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=10177","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=10175","results":[{"id":"mp-1214055","created_at":"2022-09-04T14:47:26.892273Z","structure_string":"Ca8 Rh2\n1.0\n0.000000 5.759508 5.759508\n5.759508 0.000000 5.759508\n5.759508 5.759508 0.000000\nCa Rh\n8 2\ndirect\n0.380608 0.380608 0.380608 Ca\n0.380608 0.380608 0.858175 Ca\n0.380608 0.858175 0.380608 Ca\n0.869392 0.869392 0.391825 Ca\n0.869392 0.869392 0.869392 Ca\n0.858175 0.380608 0.380608 Ca\n0.869392 0.391825 0.869392 Ca\n0.391825 0.869392 0.869392 Ca\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.250000 Rh\n","nsites":10,"nelements":2,"elements":["Ca","Rh"],"chemical_system":"Ca-Rh","density":2.2877454477898738,"density_atomic":0.026170610074179965,"volume":382.1080200902937,"volume_molar":23.011082825086564,"formula_full":"Ca8 Rh2","formula_reduced":"Ca4Rh","formula_anonymous":"AB4","energy":-30.10591456,"energy_per_atom":-3.0105914559999998,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.10591456,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003474,"is_theoretical":true,"updated_at":"2021-11-28T01:38:13.399000Z","spacegroup":227},{"id":"mp-561664","created_at":"2022-09-04T14:47:26.896606Z","structure_string":"Te4 F16\n1.0\n5.575533 0.000000 0.000000\n0.000000 6.222147 0.000000\n0.000000 0.000000 9.833743\nTe F\n4 16\ndirect\n0.154301 0.995705 0.624709 Te\n0.345699 0.004295 0.124709 Te\n0.654301 0.504295 0.375291 Te\n0.845699 0.495705 0.875291 Te\n0.700746 0.237692 0.945848 F\n0.085200 0.843306 0.043851 F\n0.585200 0.656694 0.956149 F\n0.437701 0.713931 0.250016 F\n0.140568 0.035460 0.275297 F\n0.359432 0.964540 0.775297 F\n0.640568 0.464540 0.724703 F\n0.414800 0.156694 0.543851 F\n0.062299 0.286069 0.750016 F\n0.859432 0.535460 0.224703 F\n0.914800 0.343306 0.456149 F\n0.299254 0.737692 0.554152 F\n0.562299 0.213931 0.249984 F\n0.799254 0.762308 0.445848 F\n0.937701 0.786069 0.749984 F\n0.200746 0.262308 0.054152 F\n","nsites":20,"nelements":2,"elements":["Te","F"],"chemical_system":"F-Te","density":3.963945967336222,"density_atomic":0.05862521977060411,"volume":341.1501070402539,"volume_molar":10.27226982442738,"formula_full":"Te4 F16","formula_reduced":"TeF4","formula_anonymous":"AB4","energy":-92.54113005,"energy_per_atom":-4.6270565025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.14913005,"band_gap":4.0186,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:38:05.905000Z","spacegroup":19},{"id":"mp-1103888","created_at":"2022-09-04T14:47:26.899067Z","structure_string":"Yb1 B12\n1.0\n0.000000 3.750322 3.750322\n3.750322 0.000000 3.750322\n3.750322 3.750322 0.000000\nYb B\n1 12\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.836292 B\n0.163708 0.500000 0.836292 B\n0.500000 0.163708 0.836292 B\n0.163708 0.836292 0.500000 B\n0.500000 0.836292 0.500000 B\n0.500000 0.836292 0.163708 B\n0.836292 0.163708 0.500000 B\n0.836292 0.500000 0.163708 B\n0.836292 0.500000 0.500000 B\n0.500000 0.500000 0.163708 B\n0.500000 0.163708 0.500000 B\n0.163708 0.500000 0.500000 B\n","nsites":13,"nelements":2,"elements":["Yb","B"],"chemical_system":"B-Yb","density":4.765726760916811,"density_atomic":0.12322751312609936,"volume":105.49592108295678,"volume_molar":4.88700989513398,"formula_full":"Yb1 B12","formula_reduced":"YbB12","formula_anonymous":"AB12","energy":-83.83917578,"energy_per_atom":-6.449167367692308,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.83917578,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.8e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:38:14.527000Z","spacegroup":225},{"id":"mp-21444","created_at":"2022-09-04T14:47:26.900770Z","structure_string":"La4 Mn8 O20\n1.0\n5.843528 0.000000 0.000000\n0.000000 7.749642 0.000000\n0.000000 0.000000 8.797380\nLa Mn O\n4 8 20\ndirect\n0.000000 0.354264 0.672800 La\n0.000000 0.645736 0.327200 La\n0.000000 0.854264 0.827200 La\n0.000000 0.145736 0.172800 La\n0.500000 0.089962 0.851313 Mn\n0.500000 0.910038 0.148687 Mn\n0.500000 0.589962 0.648687 Mn\n0.500000 0.410038 0.351313 Mn\n0.258273 0.500000 0.000000 Mn\n0.741727 0.000000 0.500000 Mn\n0.741727 0.500000 0.000000 Mn\n0.258273 0.000000 0.500000 Mn\n0.249803 0.903910 0.293421 O\n0.249803 0.096090 0.706579 O\n0.750197 0.403910 0.206579 O\n0.750197 0.596090 0.793421 O\n0.750197 0.096090 0.706579 O\n0.750197 0.903910 0.293421 O\n0.249803 0.596090 0.793421 O\n0.249803 0.403910 0.206579 O\n0.500000 0.348151 0.937493 O\n0.500000 0.651849 0.062507 O\n0.500000 0.848151 0.562507 O\n0.500000 0.151849 0.437493 O\n0.278875 0.000000 0.000000 O\n0.721125 0.500000 0.500000 O\n0.721125 0.000000 0.000000 O\n0.278875 0.500000 0.500000 O\n0.000000 0.154584 0.448838 O\n0.000000 0.845416 0.551162 O\n0.000000 0.654584 0.051162 O\n0.000000 0.345416 0.948838 O\n","nsites":32,"nelements":3,"elements":["La","Mn","O"],"chemical_system":"La-Mn-O","density":5.481538343985113,"density_atomic":0.08032298821486025,"volume":398.39155279434436,"volume_molar":7.497406276632852,"formula_full":"La4 Mn8 O20","formula_reduced":"LaMn2O5","formula_anonymous":"AB2C5","energy":-276.19022967,"energy_per_atom":-8.6309446771875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-249.10622967,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":28.0026149,"is_theoretical":false,"updated_at":"2021-11-28T01:38:12.361000Z","spacegroup":55},{"id":"mp-556549","created_at":"2022-09-04T14:47:26.924785Z","structure_string":"Bi8 O12\n1.0\n5.254051 0.000000 0.000000\n0.000000 5.724600 0.000000\n0.000000 0.000000 12.811704\nBi O\n8 12\ndirect\n0.950571 0.320463 0.625312 Bi\n0.549429 0.820463 0.625312 Bi\n0.450571 0.679537 0.125312 Bi\n0.450571 0.179537 0.374688 Bi\n0.950571 0.820463 0.874688 Bi\n0.549429 0.320463 0.874688 Bi\n0.049429 0.179537 0.125312 Bi\n0.049429 0.679537 0.374688 Bi\n0.381107 0.330157 0.056699 O\n0.118893 0.830157 0.056699 O\n0.250000 0.481959 0.250000 O\n0.750000 0.518041 0.750000 O\n0.750000 0.018041 0.750000 O\n0.118893 0.330157 0.443301 O\n0.381107 0.830157 0.443301 O\n0.881107 0.169843 0.943301 O\n0.618893 0.669843 0.943301 O\n0.618893 0.169843 0.556699 O\n0.881107 0.669843 0.556699 O\n0.250000 0.981959 0.250000 O\n","nsites":20,"nelements":2,"elements":["Bi","O"],"chemical_system":"Bi-O","density":8.031755267976271,"density_atomic":0.05190194930277094,"volume":385.3419817303902,"volume_molar":11.602918273588791,"formula_full":"Bi8 O12","formula_reduced":"Bi2O3","formula_anonymous":"A2B3","energy":-122.85671452,"energy_per_atom":-6.1428357259999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-114.61271452,"band_gap":2.277,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:38:09.268000Z","spacegroup":56},{"id":"mp-999127","created_at":"2022-09-04T14:47:26.928473Z","structure_string":"Na1 Tb1 Se2\n1.0\n7.098049 -2.085405 0.000000\n7.098049 2.085405 0.000000\n6.485357 0.000000 3.559685\nNa Tb Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Tb\n0.756815 0.756815 0.756815 Se\n0.243185 0.243185 0.243185 Se\n","nsites":4,"nelements":3,"elements":["Na","Tb","Se"],"chemical_system":"Na-Se-Tb","density":5.354838626575583,"density_atomic":0.037956750362692915,"volume":105.38309949556525,"volume_molar":15.865796472184474,"formula_full":"Na1 Tb1 Se2","formula_reduced":"NaTbSe2","formula_anonymous":"ABC2","energy":-20.69648874,"energy_per_atom":-5.174122185,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.75248874,"band_gap":1.899,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:38:11.631000Z","spacegroup":166},{"id":"mp-570419","created_at":"2022-09-04T14:47:26.931245Z","structure_string":"Zr6 Al6 C10\n1.0\n1.681125 -2.911794 0.000000\n1.681125 2.911794 0.000000\n0.000000 0.000000 27.749737\nZr Al C\n6 6 10\ndirect\n0.333333 0.666667 0.904316 Zr\n0.666667 0.333333 0.095684 Zr\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.595684 Zr\n0.000000 0.000000 0.500000 Zr\n0.666667 0.333333 0.404316 Zr\n0.000000 0.000000 0.250000 Al\n0.666667 0.333333 0.822609 Al\n0.333333 0.666667 0.177391 Al\n0.333333 0.666667 0.322609 Al\n0.666667 0.333333 0.677391 Al\n0.000000 0.000000 0.750000 Al\n0.666667 0.333333 0.949798 C\n0.666667 0.333333 0.550202 C\n0.000000 0.000000 0.347449 C\n0.000000 0.000000 0.652551 C\n0.666667 0.333333 0.750000 C\n0.333333 0.666667 0.050202 C\n0.333333 0.666667 0.449798 C\n0.000000 0.000000 0.152551 C\n0.333333 0.666667 0.250000 C\n0.000000 0.000000 0.847449 C\n","nsites":22,"nelements":3,"elements":["Zr","Al","C"],"chemical_system":"Al-C-Zr","density":5.069116946292396,"density_atomic":0.08097914001891039,"volume":271.67490288069894,"volume_molar":7.436656845940447,"formula_full":"Zr6 Al6 C10","formula_reduced":"Zr3Al3C5","formula_anonymous":"A3B3C5","energy":-177.59728712999998,"energy_per_atom":-8.072603960454545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-177.59728712999998,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0050193,"is_theoretical":false,"updated_at":"2021-11-28T01:38:08.123000Z","spacegroup":194},{"id":"mp-1111581","created_at":"2022-09-04T14:47:26.937443Z","structure_string":"K2 Tl1 Ga1 Cl6\n1.0\n0.000000 5.413637 5.413637\n5.413637 0.000000 5.413637\n5.413637 5.413637 0.000000\nK Tl Ga Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.778557 0.221443 0.221443 Cl\n0.221443 0.221443 0.778557 Cl\n0.221443 0.778557 0.778557 Cl\n0.221443 0.778557 0.221443 Cl\n0.778557 0.221443 0.778557 Cl\n0.778557 0.778557 0.221443 Cl\n","nsites":10,"nelements":4,"elements":["K","Tl","Ga","Cl"],"chemical_system":"Cl-Ga-K-Tl","density":2.9567609867650093,"density_atomic":0.031513933134382756,"volume":317.3199599478005,"volume_molar":19.10945464763217,"formula_full":"K2 Tl1 Ga1 Cl6","formula_reduced":"K2TlGaCl6","formula_anonymous":"ABC2D6","energy":-36.1534256,"energy_per_atom":-3.6153425599999998,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.4694256,"band_gap":2.5197,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007884,"is_theoretical":true,"updated_at":"2021-11-28T01:38:07.558000Z","spacegroup":225},{"id":"mp-1215268","created_at":"2022-09-04T14:47:26.948759Z","structure_string":"Zr2 Cr2 W2\n1.0\n-2.600846 2.665977 3.685610\n2.600846 -2.665977 3.685610\n2.600846 2.665977 -3.685610\nZr Cr W\n2 2 2\ndirect\n0.373142 0.123142 0.250000 Zr\n0.626858 0.876858 0.750000 Zr\n0.000000 0.500000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 W\n0.000000 0.500000 0.500000 W\n","nsites":6,"nelements":3,"elements":["Zr","Cr","W"],"chemical_system":"Cr-W-Zr","density":10.62591294005191,"density_atomic":0.058696316166917215,"volume":102.22106584913344,"volume_molar":10.259827453011843,"formula_full":"Zr2 Cr2 W2","formula_reduced":"ZrCrW","formula_anonymous":"ABC","energy":-62.73021351999999,"energy_per_atom":-10.455035586666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.73021351999999,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009526,"is_theoretical":true,"updated_at":"2021-11-28T01:38:13.483000Z","spacegroup":74},{"id":"mp-504611","created_at":"2022-09-04T14:47:26.880609Z","structure_string":"Cs4 Na2 Fe2 F12\n1.0\n10.512393 -3.185773 0.000000\n10.512393 3.185773 0.000000\n9.546947 0.000000 5.432804\nCs Na Fe F\n4 2 2 12\ndirect\n0.127502 0.127502 0.127502 Cs\n0.872498 0.872498 0.872498 Cs\n0.282023 0.282023 0.282023 Cs\n0.717977 0.717977 0.717977 Cs\n0.402857 0.402857 0.402857 Na\n0.597143 0.597143 0.597143 Na\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.177333 0.604296 0.604296 F\n0.604296 0.604296 0.177333 F\n0.604296 0.177333 0.604296 F\n0.395704 0.822667 0.395704 F\n0.822667 0.395704 0.395704 F\n0.395704 0.395704 0.822667 F\n0.258703 0.815960 0.815960 F\n0.815960 0.815960 0.258703 F\n0.815960 0.258703 0.815960 F\n0.184040 0.741297 0.184040 F\n0.741297 0.184040 0.184040 F\n0.184040 0.184040 0.741297 F\n","nsites":20,"nelements":4,"elements":["Cs","Na","Fe","F"],"chemical_system":"Cs-F-Fe-Na","density":4.1857845737483785,"density_atomic":0.054961622792371115,"volume":363.89027441118566,"volume_molar":10.95699226849593,"formula_full":"Cs4 Na2 Fe2 F12","formula_reduced":"Cs2NaFeF6","formula_anonymous":"ABC2D6","energy":-104.77513967,"energy_per_atom":-5.2387569835,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-94.71913967,"band_gap":3.841,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":10.0012874,"is_theoretical":false,"updated_at":"2021-11-28T01:38:08.904000Z","spacegroup":166},{"id":"mp-1204868","created_at":"2022-09-04T14:47:26.903879Z","structure_string":"Na2 Ca2 Mn4 P6 H4 O24\n1.0\n6.287384 6.333111 0.000000\n-6.287384 6.333111 0.000000\n0.000000 2.904121 6.139441\nNa Ca Mn P H O\n2 2 4 6 4 24\ndirect\n0.955322 0.044678 0.750000 Na\n0.044678 0.955322 0.250000 Na\n0.287367 0.712633 0.750000 Ca\n0.712633 0.287367 0.250000 Ca\n0.381079 0.054809 0.860715 Mn\n0.945191 0.618921 0.639285 Mn\n0.618921 0.945191 0.139285 Mn\n0.054809 0.381079 0.360715 Mn\n0.689248 0.310752 0.750000 P\n0.310752 0.689248 0.250000 P\n0.682041 0.890973 0.614969 P\n0.109027 0.317959 0.885031 P\n0.317959 0.109027 0.385031 P\n0.890973 0.682041 0.114969 P\n0.373287 0.373193 0.802762 H\n0.626807 0.626713 0.697238 H\n0.626713 0.626807 0.197238 H\n0.373193 0.373287 0.302762 H\n0.283198 0.806633 0.043732 O\n0.193367 0.716802 0.456268 O\n0.716802 0.193367 0.956268 O\n0.806633 0.283198 0.543732 O\n0.518734 0.284917 0.741175 O\n0.715083 0.481266 0.758825 O\n0.481266 0.715083 0.258825 O\n0.284917 0.518734 0.241175 O\n0.327904 0.990890 0.598488 O\n0.009110 0.672096 0.901512 O\n0.672096 0.009110 0.401512 O\n0.990890 0.327904 0.098488 O\n0.268437 0.425536 0.841140 O\n0.574464 0.731563 0.658860 O\n0.731563 0.574464 0.158860 O\n0.425536 0.268437 0.341140 O\n0.611669 0.953515 0.807511 O\n0.046485 0.388331 0.692489 O\n0.388331 0.046485 0.192489 O\n0.953515 0.611669 0.307511 O\n0.151349 0.147958 0.904432 O\n0.852042 0.848651 0.595568 O\n0.848651 0.852042 0.095568 O\n0.147958 0.151349 0.404432 O\n","nsites":42,"nelements":6,"elements":["Na","Ca","Mn","P","H","O"],"chemical_system":"Ca-H-Mn-Na-O-P","density":3.1237183820298196,"density_atomic":0.08590202051852713,"volume":488.92912816808007,"volume_molar":7.01047626545776,"formula_full":"Na2 Ca2 Mn4 P6 H4 O24","formula_reduced":"NaCaMn2P3(HO6)2","formula_anonymous":"ABC2D2E3F12","energy":-316.09778955,"energy_per_atom":-7.526137846428572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-292.93778955,"band_gap":3.5059,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0003685,"is_theoretical":false,"updated_at":"2021-11-28T01:38:08.128000Z","spacegroup":15},{"id":"mp-862960","created_at":"2022-09-04T14:47:26.907917Z","structure_string":"Pm1 Sn3\n1.0\n4.767196 0.000000 0.000000\n0.000000 4.767196 0.000000\n0.000000 0.000000 4.767196\nPm Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n","nsites":4,"nelements":2,"elements":["Pm","Sn"],"chemical_system":"Pm-Sn","density":7.680871082138954,"density_atomic":0.03692078848365825,"volume":108.34004809432676,"volume_molar":16.310975489230138,"formula_full":"Pm1 Sn3","formula_reduced":"PmSn3","formula_anonymous":"AB3","energy":-18.74964928,"energy_per_atom":-4.68741232,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.74964928,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0026047,"is_theoretical":true,"updated_at":"2021-11-28T01:38:13.139000Z","spacegroup":221}]}