{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=10174","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=10172","results":[{"id":"mp-560212","created_at":"2022-09-04T14:39:17.630205Z","structure_string":"Li16 Ni8 S16 O64\n1.0\n9.139622 0.000000 0.000000\n0.000000 9.258615 0.000000\n0.000000 0.000000 13.741122\nLi Ni S O\n16 8 16 64\ndirect\n0.720258 0.466495 0.626665 Li\n0.544431 0.225665 0.127793 Li\n0.455569 0.274335 0.627793 Li\n0.220258 0.533505 0.873335 Li\n0.544431 0.725665 0.372207 Li\n0.279742 0.533505 0.373335 Li\n0.455569 0.774335 0.872207 Li\n0.955569 0.725665 0.872207 Li\n0.779742 0.966495 0.373335 Li\n0.279742 0.033505 0.126665 Li\n0.779742 0.466495 0.126665 Li\n0.044431 0.774335 0.372207 Li\n0.044431 0.274335 0.127793 Li\n0.955569 0.225665 0.627793 Li\n0.720258 0.966495 0.873335 Li\n0.220258 0.033505 0.626665 Li\n0.896636 0.361911 0.377956 Ni\n0.603364 0.861911 0.622044 Ni\n0.396636 0.638089 0.122044 Ni\n0.396636 0.138089 0.377956 Ni\n0.103364 0.638089 0.622044 Ni\n0.603364 0.361911 0.877956 Ni\n0.103364 0.138089 0.877956 Ni\n0.896636 0.861911 0.122044 Ni\n0.430661 0.074933 0.773071 S\n0.812940 0.160719 0.008676 S\n0.312940 0.839281 0.491324 S\n0.430661 0.574933 0.726929 S\n0.930661 0.925067 0.726929 S\n0.312940 0.339281 0.008676 S\n0.187060 0.839281 0.991324 S\n0.687060 0.160719 0.508676 S\n0.569339 0.925067 0.226929 S\n0.187060 0.339281 0.508676 S\n0.069339 0.074933 0.273071 S\n0.069339 0.574933 0.226929 S\n0.930661 0.425067 0.773071 S\n0.569339 0.425067 0.273071 S\n0.812940 0.660719 0.491324 S\n0.687060 0.660719 0.991324 S\n0.002097 0.481950 0.152132 O\n0.997903 0.518050 0.847868 O\n0.267223 0.074083 0.777868 O\n0.011431 0.225336 0.278266 O\n0.267223 0.574083 0.722132 O\n0.988569 0.274664 0.778266 O\n0.511431 0.774664 0.221734 O\n0.271689 0.810560 0.082128 O\n0.767223 0.425917 0.777868 O\n0.299105 0.998265 0.477223 O\n0.757842 0.742631 0.406250 O\n0.232777 0.074083 0.277868 O\n0.200895 0.998265 0.977223 O\n0.771689 0.189440 0.417872 O\n0.968977 0.204243 0.994485 O\n0.232777 0.574083 0.222132 O\n0.997903 0.018050 0.652132 O\n0.031023 0.795757 0.005515 O\n0.502097 0.518050 0.347868 O\n0.497903 0.981950 0.847868 O\n0.200895 0.498265 0.522777 O\n0.497903 0.481950 0.652132 O\n0.011431 0.725336 0.221734 O\n0.463324 0.523336 0.828911 O\n0.732777 0.425917 0.277868 O\n0.531023 0.704243 0.005515 O\n0.536676 0.976664 0.328911 O\n0.700895 0.001735 0.522777 O\n0.968977 0.704243 0.505515 O\n0.757842 0.242631 0.093750 O\n0.771689 0.689440 0.082128 O\n0.002097 0.981950 0.347868 O\n0.488569 0.725336 0.721734 O\n0.463324 0.023336 0.671089 O\n0.468977 0.295757 0.994485 O\n0.742158 0.242631 0.593750 O\n0.511431 0.274664 0.278266 O\n0.271689 0.310560 0.417872 O\n0.242158 0.257369 0.593750 O\n0.799105 0.001735 0.022777 O\n0.531023 0.204243 0.494485 O\n0.228311 0.310560 0.917872 O\n0.728311 0.189440 0.917872 O\n0.036676 0.523336 0.328911 O\n0.767223 0.925917 0.722132 O\n0.468977 0.795757 0.505515 O\n0.257842 0.757369 0.406250 O\n0.031023 0.295757 0.494485 O\n0.488569 0.225336 0.778266 O\n0.242158 0.757369 0.906250 O\n0.963324 0.976664 0.828911 O\n0.502097 0.018050 0.152132 O\n0.299105 0.498265 0.022777 O\n0.742158 0.742631 0.906250 O\n0.963324 0.476664 0.671089 O\n0.228311 0.810560 0.582128 O\n0.799105 0.501735 0.477223 O\n0.700895 0.501735 0.977223 O\n0.036676 0.023336 0.171089 O\n0.536676 0.476664 0.171089 O\n0.728311 0.689440 0.582128 O\n0.732777 0.925917 0.222132 O\n0.257842 0.257369 0.093750 O\n0.988569 0.774664 0.721734 O\n","nsites":104,"nelements":4,"elements":["Li","Ni","S","O"],"chemical_system":"Li-Ni-O-S","density":3.024109796341968,"density_atomic":0.08944104900263827,"volume":1162.7770599708897,"volume_molar":6.733083776580441,"formula_full":"Li16 Ni8 S16 O64","formula_reduced":"Li2Ni(SO4)2","formula_anonymous":"AB2C2D8","energy":-671.04064237,"energy_per_atom":-6.452313868942308,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-606.74464237,"band_gap":4.045400000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":16.0005557,"is_theoretical":false,"updated_at":"2021-11-28T01:34:26.739000Z","spacegroup":61},{"id":"mp-1208025","created_at":"2022-09-04T14:39:25.858269Z","structure_string":"Tl1 Ga1 Se2 O8\n1.0\n-2.564051 -4.441067 0.000000\n-2.564051 4.441067 0.000000\n0.000000 0.000000 -9.088833\nTl Ga Se O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.666667 0.333333 0.798798 Se\n0.333333 0.666667 0.201202 Se\n0.934029 0.258843 0.856458 O\n0.324814 0.065971 0.856458 O\n0.675186 0.741157 0.143542 O\n0.741157 0.675186 0.856458 O\n0.258843 0.934029 0.143542 O\n0.065971 0.324814 0.143542 O\n0.666667 0.333333 0.617022 O\n0.333333 0.666667 0.382978 O\n","nsites":12,"nelements":4,"elements":["Tl","Ga","Se","O"],"chemical_system":"Ga-O-Se-Tl","density":4.492640772571503,"density_atomic":0.05797344950340045,"volume":206.9913055509339,"volume_molar":10.387756484365777,"formula_full":"Tl1 Ga1 Se2 O8","formula_reduced":"TlGa(SeO4)2","formula_anonymous":"ABC2D8","energy":-68.00404746,"energy_per_atom":-5.667003954999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.50804746,"band_gap":2.7398,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0028056,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.797000Z","spacegroup":150},{"id":"mp-554056","created_at":"2022-09-04T14:39:18.214608Z","structure_string":"Ca8 B20 Br4 O36\n1.0\n6.337878 0.000000 0.000000\n0.000000 11.381441 0.000000\n0.000000 0.000000 11.526935\nCa B Br O\n8 20 4 36\ndirect\n0.792499 0.037596 0.752960 Ca\n0.292499 0.462404 0.252960 Ca\n0.460404 0.245195 0.534007 Ca\n0.960404 0.254805 0.034007 Ca\n0.460404 0.754805 0.465993 Ca\n0.792499 0.962404 0.247040 Ca\n0.960404 0.745195 0.965993 Ca\n0.292499 0.537596 0.747040 Ca\n0.599457 0.320727 0.774400 B\n0.334223 0.013217 0.235556 B\n0.998748 0.751612 0.527033 B\n0.099457 0.179273 0.274400 B\n0.099457 0.820727 0.725600 B\n0.958261 0.720550 0.305861 B\n0.958261 0.279450 0.694139 B\n0.998748 0.248388 0.472967 B\n0.834223 0.513217 0.264444 B\n0.834223 0.486783 0.735556 B\n0.458261 0.779450 0.805861 B\n0.772333 0.708990 0.693325 B\n0.772333 0.291010 0.306675 B\n0.272333 0.791010 0.193325 B\n0.272333 0.208990 0.806675 B\n0.458261 0.220550 0.194139 B\n0.599457 0.679273 0.225600 B\n0.334223 0.986783 0.764444 B\n0.498748 0.748388 0.027033 B\n0.498748 0.251612 0.972967 B\n0.877166 0.000000 0.000000 Br\n0.377166 0.500000 0.500000 Br\n0.138713 0.500000 0.000000 Br\n0.638713 0.000000 0.500000 Br\n0.800655 0.718870 0.563033 O\n0.046472 0.206006 0.787481 O\n0.377340 0.307589 0.748085 O\n0.046472 0.793994 0.212519 O\n0.654970 0.283105 0.894566 O\n0.135169 0.049770 0.263944 O\n0.228995 0.245296 0.188647 O\n0.892561 0.397654 0.266878 O\n0.493761 0.907798 0.786130 O\n0.546472 0.293994 0.287481 O\n0.565964 0.744785 0.914534 O\n0.377340 0.692411 0.251915 O\n0.300655 0.218870 0.936967 O\n0.993761 0.592202 0.286130 O\n0.565964 0.255215 0.085466 O\n0.728995 0.745296 0.311353 O\n0.635169 0.549770 0.236056 O\n0.993761 0.407798 0.713870 O\n0.065964 0.244785 0.585466 O\n0.065964 0.755215 0.414534 O\n0.728995 0.254704 0.688647 O\n0.654970 0.716895 0.105434 O\n0.154970 0.783105 0.605434 O\n0.877340 0.192411 0.248085 O\n0.546472 0.706006 0.712519 O\n0.877340 0.807589 0.751915 O\n0.892561 0.602346 0.733122 O\n0.228995 0.754704 0.811353 O\n0.493761 0.092202 0.213870 O\n0.300655 0.781130 0.063033 O\n0.392561 0.102346 0.766878 O\n0.635169 0.450230 0.763944 O\n0.800655 0.281130 0.436967 O\n0.135169 0.950230 0.736056 O\n0.392561 0.897654 0.233122 O\n0.154970 0.216895 0.394566 O\n","nsites":68,"nelements":4,"elements":["Ca","B","Br","O"],"chemical_system":"B-Br-Ca-O","density":2.8606852824226094,"density_atomic":0.08178128723579785,"volume":831.4860562653823,"volume_molar":7.3637148100109,"formula_full":"Ca8 B20 Br4 O36","formula_reduced":"Ca2B5BrO9","formula_anonymous":"AB2C5D9","energy":-538.81012522,"energy_per_atom":-7.923678312058824,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-511.94212522,"band_gap":5.3506,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000177,"is_theoretical":false,"updated_at":"2021-11-28T01:34:41.928000Z","spacegroup":34},{"id":"mp-1210433","created_at":"2022-09-04T14:39:18.214831Z","structure_string":"Na4 Mg2 Ga2 F14\n1.0\n-3.616767 3.759348 5.175407\n3.616767 -3.759348 5.175407\n3.616767 3.759348 -5.175407\nNa Mg Ga F\n4 2 2 14\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.863418 0.590553 0.272866 F\n0.182313 0.909447 0.272866 F\n0.182192 0.809729 0.762124 F\n0.452394 0.690271 0.372463 F\n0.452394 0.079932 0.762124 F\n0.182192 0.420068 0.372463 F\n0.817808 0.579932 0.627537 F\n0.547606 0.920068 0.237876 F\n0.547606 0.309729 0.627537 F\n0.817808 0.190271 0.237876 F\n0.399085 0.250000 0.149085 F\n0.136582 0.409447 0.727134 F\n0.817687 0.090553 0.727134 F\n0.600915 0.750000 0.850915 F\n","nsites":22,"nelements":4,"elements":["Na","Mg","Ga","F"],"chemical_system":"F-Ga-Mg-Na","density":3.2210568465035547,"density_atomic":0.07816010231970417,"volume":281.4735312143239,"volume_molar":7.7048782963041464,"formula_full":"Na4 Mg2 Ga2 F14","formula_reduced":"Na2MgGaF7","formula_anonymous":"ABC2D7","energy":-112.76184167,"energy_per_atom":-5.125538257727272,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-106.29384167000002,"band_gap":5.8978,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009119,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.909000Z","spacegroup":74},{"id":"mp-1174046","created_at":"2022-09-04T14:39:22.729722Z","structure_string":"Li6 Mn2 Co2 O10\n1.0\n7.302645 2.513457 0.000000\n-7.302645 2.513457 0.000000\n0.000000 1.671501 4.830993\nLi Mn Co O\n6 2 2 10\ndirect\n0.896900 0.103100 0.500000 Li\n0.297235 0.702765 0.500000 Li\n0.702400 0.297600 0.500000 Li\n0.105663 0.894337 0.500000 Li\n0.498640 0.501360 0.500000 Li\n0.201274 0.798726 0.000000 Li\n0.002048 0.997952 0.000000 Mn\n0.602220 0.397780 0.000000 Mn\n0.392450 0.607550 0.000000 Co\n0.796760 0.203240 0.000000 Co\n0.668090 0.858928 0.228649 O\n0.053035 0.441139 0.232935 O\n0.471271 0.081867 0.233743 O\n0.841895 0.656258 0.220907 O\n0.255123 0.246812 0.219518 O\n0.141072 0.331910 0.771351 O\n0.558861 0.946965 0.767065 O\n0.918133 0.528729 0.766257 O\n0.343742 0.158105 0.779093 O\n0.753188 0.744877 0.780482 O\n","nsites":20,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.020456475182618,"density_atomic":0.1127747681804355,"volume":177.34463411177873,"volume_molar":5.339971748259146,"formula_full":"Li6 Mn2 Co2 O10","formula_reduced":"Li3MnCoO5","formula_anonymous":"ABC3D5","energy":-132.52119942000002,"energy_per_atom":-6.626059971000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-119.03919942,"band_gap":1.0015,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9998619,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.747000Z","spacegroup":5},{"id":"mp-1180761","created_at":"2022-09-04T14:39:14.718016Z","structure_string":"Na1 C1 N1 O1\n1.0\n2.946480 1.713637 8.145498\n-2.337434 2.959072 4.686925\n-3.442401 -4.881724 -2.513689\nNa C N O\n1 1 1 1\ndirect\n0.951045 0.527624 0.000000 Na\n0.010463 0.988196 0.000000 C\n0.125318 0.029352 0.000000 N\n0.893175 0.944827 0.000000 O\n","nsites":4,"nelements":4,"elements":["Na","C","N","O"],"chemical_system":"C-N-Na-O","density":0.5876164241637645,"density_atomic":0.021774469009018634,"volume":183.70137973712536,"volume_molar":27.65688916457952,"formula_full":"Na1 C1 N1 O1","formula_reduced":"NaCNO","formula_anonymous":"ABCD","energy":-27.66063353,"energy_per_atom":-6.9151583825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.61263353,"band_gap":3.7911,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000154,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.736000Z","spacegroup":8},{"id":"mp-1212105","created_at":"2022-09-04T14:39:18.219074Z","structure_string":"Ho1 Al3 B4 O12\n1.0\n3.634556 -4.675153 0.000000\n3.634556 4.675153 0.000000\n-2.379124 0.000000 5.422805\nHo Al B O\n1 3 4 12\ndirect\n0.500000 0.500000 0.500000 Ho\n0.055288 0.944712 0.500000 Al\n0.944712 0.500000 0.055288 Al\n0.500000 0.055288 0.944712 Al\n0.443507 0.556493 0.000000 B\n0.556493 0.000000 0.443507 B\n0.000000 0.443507 0.556493 B\n0.000000 0.000000 0.000000 B\n0.280074 0.528257 0.128953 O\n0.528257 0.128953 0.280074 O\n0.719926 0.871047 0.471743 O\n0.128953 0.280074 0.528257 O\n0.471743 0.719926 0.871047 O\n0.871047 0.471743 0.719926 O\n0.851285 0.148715 0.000000 O\n0.148715 0.000000 0.851285 O\n0.000000 0.851285 0.148715 O\n0.591849 0.408151 0.000000 O\n0.408151 0.000000 0.591849 O\n0.000000 0.591849 0.408151 O\n","nsites":20,"nelements":4,"elements":["Ho","Al","B","O"],"chemical_system":"Al-B-Ho-O","density":4.33504761334646,"density_atomic":0.1085247562896644,"volume":184.28974810703855,"volume_molar":5.549094018627649,"formula_full":"Ho1 Al3 B4 O12","formula_reduced":"HoAl3(BO3)4","formula_anonymous":"AB3C4D12","energy":-166.95084677,"energy_per_atom":-8.3475423385,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-158.70684677,"band_gap":5.5914,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.68e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.507000Z","spacegroup":155},{"id":"mp-9759","created_at":"2022-09-04T14:39:25.975120Z","structure_string":"Ba2 Pr4 Pd2 O10\n1.0\n6.864522 0.000000 0.000000\n0.000000 6.864522 0.000000\n0.000000 0.000000 5.996895\nBa Pr Pd O\n2 4 2 10\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.673679 0.173679 0.500000 Pr\n0.173679 0.326321 0.500000 Pr\n0.826321 0.673679 0.500000 Pr\n0.326321 0.826321 0.500000 Pr\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.140384 0.640384 0.250153 O\n0.859616 0.359616 0.250153 O\n0.359616 0.140384 0.250153 O\n0.640384 0.859616 0.250153 O\n0.140384 0.640384 0.749847 O\n0.640384 0.859616 0.749847 O\n0.859616 0.359616 0.749847 O\n0.359616 0.140384 0.749847 O\n","nsites":18,"nelements":4,"elements":["Ba","Pr","Pd","O"],"chemical_system":"Ba-O-Pd-Pr","density":7.1168649407616495,"density_atomic":0.06369795032821411,"volume":282.5836609694983,"volume_molar":9.454214349080205,"formula_full":"Ba2 Pr4 Pd2 O10","formula_reduced":"BaPr2PdO5","formula_anonymous":"ABC2D5","energy":-135.91661374,"energy_per_atom":-7.550922985555555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-129.04661374,"band_gap":2.1389,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010843,"is_theoretical":false,"updated_at":"2021-11-28T01:34:31.571000Z","spacegroup":127},{"id":"mp-1320662","created_at":"2022-09-04T14:39:18.240440Z","structure_string":"Li10 Mn4 Co2 O16\n1.0\n2.760971 -0.000113 0.815849\n0.510107 9.958272 -1.726385\n-2.775452 -0.087903 9.394894\nLi Mn Co O\n10 4 2 16\ndirect\n0.499984 0.250165 0.999745 Li\n0.000007 0.249796 0.500250 Li\n0.500079 0.137940 0.255055 Li\n0.999984 0.140398 0.756684 Li\n0.000055 0.359796 0.243020 Li\n0.499907 0.361909 0.745087 Li\n0.499897 0.625043 0.245418 Li\n0.000019 0.626524 0.745995 Li\n0.000005 0.873399 0.253984 Li\n0.500092 0.875007 0.754550 Li\n0.500048 0.004692 0.506028 Mn\n0.499825 0.495256 0.493962 Mn\n0.000209 0.009249 0.006867 Mn\n0.000020 0.490831 0.993126 Mn\n0.999986 0.749947 0.499988 Co\n0.499973 0.750094 0.999996 Co\n0.000063 0.173368 0.121486 O\n0.500020 0.168840 0.621023 O\n0.499995 0.331087 0.379072 O\n0.999915 0.326787 0.878525 O\n0.499917 0.445663 0.106733 O\n0.999952 0.449498 0.607035 O\n0.000068 0.050346 0.393046 O\n0.500083 0.054474 0.893248 O\n0.999893 0.681687 0.113837 O\n0.499977 0.687660 0.606257 O\n0.500006 0.812149 0.393755 O\n0.000059 0.818465 0.886180 O\n0.500041 0.941707 0.114562 O\n0.000038 0.931173 0.609408 O\n0.999961 0.568598 0.390654 O\n0.499924 0.558452 0.885423 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":3.9264036631197974,"density_atomic":0.11412213100597524,"volume":280.4013535141973,"volume_molar":5.276926312990677,"formula_full":"Li10 Mn4 Co2 O16","formula_reduced":"Li5Mn2CoO8","formula_anonymous":"AB2C5D8","energy":-213.72605819,"energy_per_atom":-6.6789393184375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-192.78605819,"band_gap":0.9160999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0003681,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.554000Z","spacegroup":10},{"id":"mp-1020612","created_at":"2022-09-04T14:39:14.728923Z","structure_string":"Sr4 Si2 S16 O56\n1.0\n13.173970 0.000000 0.000000\n0.000000 7.146587 0.000000\n0.000000 5.605814 12.411440\nSr Si S O\n4 2 16 56\ndirect\n0.635163 0.640682 0.159038 Sr\n0.864837 0.640682 0.659038 Sr\n0.364837 0.359318 0.840962 Sr\n0.135163 0.359318 0.340962 Sr\n0.500000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.529227 0.181035 0.106943 S\n0.970773 0.181035 0.606943 S\n0.470773 0.818965 0.893057 S\n0.029227 0.818965 0.393057 S\n0.416649 0.258747 0.274556 S\n0.083351 0.258747 0.774556 S\n0.583351 0.741253 0.725444 S\n0.916649 0.741253 0.225444 S\n0.714986 0.123855 0.411851 S\n0.785014 0.123855 0.911851 S\n0.285014 0.876145 0.588149 S\n0.214986 0.876145 0.088149 S\n0.644785 0.724247 0.441800 S\n0.855215 0.724247 0.941800 S\n0.355215 0.275753 0.558200 S\n0.144785 0.275753 0.058200 S\n0.474599 0.078801 0.359563 O\n0.025401 0.078801 0.859563 O\n0.525401 0.921199 0.640437 O\n0.974599 0.921199 0.140437 O\n0.603772 0.307384 0.128880 O\n0.896228 0.307384 0.628880 O\n0.396228 0.692616 0.871120 O\n0.103772 0.692616 0.371120 O\n0.618400 0.135189 0.470300 O\n0.881600 0.135189 0.970300 O\n0.381600 0.864811 0.529700 O\n0.118400 0.864811 0.029700 O\n0.418600 0.201371 0.174649 O\n0.081400 0.201371 0.674649 O\n0.581400 0.798629 0.825351 O\n0.918600 0.798629 0.325351 O\n0.548500 0.962818 0.157167 O\n0.951500 0.962818 0.657167 O\n0.451500 0.037182 0.842833 O\n0.048500 0.037182 0.342833 O\n0.310488 0.250767 0.301108 O\n0.189512 0.250767 0.801108 O\n0.689512 0.749233 0.698892 O\n0.810488 0.749233 0.198892 O\n0.469080 0.449736 0.250793 O\n0.030920 0.449736 0.750793 O\n0.530920 0.550264 0.749207 O\n0.969080 0.550264 0.249207 O\n0.797149 0.041287 0.486092 O\n0.702851 0.041287 0.986092 O\n0.202851 0.958713 0.513908 O\n0.297149 0.958713 0.013908 O\n0.730245 0.309081 0.317239 O\n0.769755 0.309081 0.817239 O\n0.269755 0.690919 0.682761 O\n0.230245 0.690919 0.182761 O\n0.488875 0.260197 0.998919 O\n0.011125 0.260197 0.498919 O\n0.511125 0.739803 0.001081 O\n0.988875 0.739803 0.501081 O\n0.685843 0.954732 0.361828 O\n0.814157 0.954732 0.861828 O\n0.314157 0.045268 0.638172 O\n0.185843 0.045268 0.138172 O\n0.555796 0.770688 0.499993 O\n0.944204 0.770688 0.999993 O\n0.444204 0.229312 0.500007 O\n0.055796 0.229312 0.000007 O\n0.611714 0.640734 0.368316 O\n0.888286 0.640734 0.868316 O\n0.388286 0.359266 0.631684 O\n0.111714 0.359266 0.131684 O\n0.723422 0.619031 0.517579 O\n0.776578 0.619031 0.017579 O\n0.276578 0.380969 0.482421 O\n0.223422 0.380969 0.982421 O\n","nsites":78,"nelements":4,"elements":["Sr","Si","S","O"],"chemical_system":"O-S-Si-Sr","density":2.580153085183888,"density_atomic":0.0667508922774875,"volume":1168.5237056569863,"volume_molar":9.021813124183565,"formula_full":"Sr4 Si2 S16 O56","formula_reduced":"Sr2Si(S2O7)4","formula_anonymous":"AB2C8D28","energy":-524.78813362,"energy_per_atom":-6.7280529951282055,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-486.31613362,"band_gap":4.9136,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0013631,"is_theoretical":false,"updated_at":"2021-11-28T01:34:44.019000Z","spacegroup":14},{"id":"mp-1044742","created_at":"2022-09-04T14:39:14.726252Z","structure_string":"Ca2 Pr2 Mo4 O12\n1.0\n5.897267 0.000000 0.000000\n0.000000 5.599286 0.000000\n0.000000 5.536690 8.015900\nCa Pr Mo O\n2 2 4 12\ndirect\n0.805558 0.233236 0.249368 Ca\n0.194442 0.233236 0.749368 Ca\n0.308222 0.768408 0.250590 Pr\n0.691778 0.768408 0.750590 Pr\n0.753605 0.999436 0.000555 Mo\n0.751835 0.501115 0.499434 Mo\n0.246395 0.999436 0.500555 Mo\n0.248165 0.501115 0.999434 Mo\n0.798018 0.352510 0.757131 O\n0.048694 0.131891 0.062507 O\n0.053605 0.756134 0.447860 O\n0.545803 0.867340 0.437569 O\n0.554224 0.241636 0.052736 O\n0.294345 0.647416 0.742743 O\n0.201982 0.352510 0.257131 O\n0.946395 0.756134 0.947860 O\n0.951306 0.131891 0.562507 O\n0.454197 0.867340 0.937569 O\n0.445776 0.241636 0.552736 O\n0.705655 0.647416 0.242743 O\n","nsites":20,"nelements":4,"elements":["Ca","Pr","Mo","O"],"chemical_system":"Ca-Mo-O-Pr","density":5.882859044329145,"density_atomic":0.07556040257135792,"volume":264.6889021152627,"volume_molar":7.969969130739869,"formula_full":"Ca2 Pr2 Mo4 O12","formula_reduced":"CaPr(MoO3)2","formula_anonymous":"ABC2D6","energy":-170.98698444,"energy_per_atom":-8.549349222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-149.93498444,"band_gap":1.1796000000000006,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9988073,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.554000Z","spacegroup":7},{"id":"mp-556343","created_at":"2022-09-04T14:39:18.244856Z","structure_string":"Sr8 Ga8 B8 O32\n1.0\n5.878729 0.000000 0.000000\n0.000000 8.998933 0.000000\n0.000000 0.000000 15.580930\nSr Ga B O\n8 8 8 32\ndirect\n0.392088 0.884263 0.649988 Sr\n0.607912 0.384263 0.149988 Sr\n0.607912 0.115737 0.350012 Sr\n0.892088 0.884263 0.850012 Sr\n0.107912 0.384263 0.350012 Sr\n0.392088 0.615737 0.850012 Sr\n0.892088 0.615737 0.649988 Sr\n0.107912 0.115737 0.149988 Sr\n0.367537 0.760718 0.050531 Ga\n0.132463 0.239282 0.550531 Ga\n0.867537 0.739282 0.050531 Ga\n0.632463 0.239282 0.949469 Ga\n0.632463 0.260718 0.550531 Ga\n0.867537 0.760718 0.449469 Ga\n0.367537 0.739282 0.449469 Ga\n0.132463 0.260718 0.949469 Ga\n0.128283 0.519144 0.143230 B\n0.371717 0.019144 0.856770 B\n0.871717 0.480856 0.856770 B\n0.871717 0.019144 0.643230 B\n0.628283 0.519144 0.356770 B\n0.128283 0.980856 0.356770 B\n0.628283 0.980856 0.143230 B\n0.371717 0.480856 0.643230 B\n0.585661 0.071541 0.881885 O\n0.914339 0.928459 0.381885 O\n0.327942 0.905087 0.377604 O\n0.356979 0.610560 0.689283 O\n0.585661 0.428459 0.618115 O\n0.672058 0.094913 0.622396 O\n0.615471 0.774667 0.519768 O\n0.643021 0.110560 0.189283 O\n0.172058 0.405087 0.622396 O\n0.115471 0.725333 0.519768 O\n0.914339 0.571541 0.118115 O\n0.884529 0.225333 0.019768 O\n0.115471 0.774667 0.980232 O\n0.884529 0.274667 0.480232 O\n0.856979 0.889440 0.689283 O\n0.414339 0.571541 0.381885 O\n0.356979 0.889440 0.810717 O\n0.143021 0.110560 0.310717 O\n0.384529 0.225333 0.480232 O\n0.085661 0.428459 0.881885 O\n0.172058 0.094913 0.877604 O\n0.827942 0.905087 0.122396 O\n0.672058 0.405087 0.877604 O\n0.856979 0.610560 0.810717 O\n0.143021 0.389440 0.189283 O\n0.615471 0.725333 0.980232 O\n0.085661 0.071541 0.618115 O\n0.643021 0.389440 0.310717 O\n0.827942 0.594913 0.377604 O\n0.327942 0.594913 0.122396 O\n0.414339 0.928459 0.118115 O\n0.384529 0.274667 0.019768 O\n","nsites":56,"nelements":4,"elements":["Sr","Ga","B","O"],"chemical_system":"B-Ga-O-Sr","density":3.741475713397024,"density_atomic":0.06793916295553999,"volume":824.2668523403345,"volume_molar":8.864019658206482,"formula_full":"Sr8 Ga8 B8 O32","formula_reduced":"SrGaBO4","formula_anonymous":"ABCD4","energy":-411.78464027,"energy_per_atom":-7.353297147678572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-389.80064027,"band_gap":3.8463,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004347,"is_theoretical":false,"updated_at":"2021-11-28T01:34:28.061000Z","spacegroup":56}]}