{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=52","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=50","results":[{"id":"mp-673117","created_at":"2022-09-04T14:48:10.047921Z","structure_string":"Sn4 P6 O20\n1.0\n5.083944 6.006830 0.000000\n-5.083944 6.006830 0.000000\n0.000000 4.618999 8.421772\nSn P O\n4 6 20\ndirect\n0.720503 0.641976 0.915814 Sn\n0.358024 0.279497 0.584186 Sn\n0.641976 0.720503 0.415814 Sn\n0.279497 0.358024 0.084186 Sn\n0.102661 0.897339 0.750000 P\n0.126508 0.580841 0.647571 P\n0.897339 0.102661 0.250000 P\n0.419159 0.873492 0.852429 P\n0.873492 0.419159 0.352429 P\n0.580841 0.126508 0.147571 P\n0.786845 0.435916 0.517539 O\n0.096216 0.140312 0.151915 O\n0.184343 0.781142 0.631795 O\n0.903784 0.859688 0.848085 O\n0.416397 0.082026 0.787975 O\n0.219221 0.428141 0.756614 O\n0.781142 0.184343 0.131795 O\n0.428141 0.219221 0.256614 O\n0.140312 0.096216 0.651915 O\n0.583603 0.917974 0.212025 O\n0.571859 0.780779 0.743386 O\n0.435916 0.786845 0.017539 O\n0.780779 0.571859 0.243386 O\n0.815657 0.218858 0.368205 O\n0.859688 0.903784 0.348085 O\n0.213155 0.564084 0.482461 O\n0.082026 0.416397 0.287975 O\n0.564084 0.213155 0.982461 O\n0.218858 0.815657 0.868205 O\n0.917974 0.583603 0.712025 O\n","nsites":30,"nelements":3,"elements":["Sn","P","O"],"chemical_system":"O-P-Sn","density":3.165867000626549,"density_atomic":0.05832324510233386,"volume":514.3746708085611,"volume_molar":10.325455569959393,"formula_full":"Sn4 P6 O20","formula_reduced":"Sn2P3O10","formula_anonymous":"A2B3C10","energy":-215.82948939,"energy_per_atom":-7.194316313,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-202.08948939,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.0037473,"is_theoretical":true,"updated_at":"2021-11-28T01:38:27.146000Z","spacegroup":15},{"id":"mp-1094882","created_at":"2022-09-04T14:48:10.054193Z","structure_string":"Mg1 Zr1\n1.0\n1.528984 -2.648278 0.000000\n1.528984 2.648278 0.000000\n0.000000 0.000000 5.531548\nMg Zr\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.500000 Zr\n","nsites":2,"nelements":2,"elements":["Mg","Zr"],"chemical_system":"Mg-Zr","density":4.282495518215639,"density_atomic":0.04464643652013975,"volume":44.79640831128396,"volume_molar":13.488513819649295,"formula_full":"Mg1 Zr1","formula_reduced":"MgZr","formula_anonymous":"AB","energy":-10.02161502,"energy_per_atom":-5.01080751,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.02161502,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0049117,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.845000Z","spacegroup":187},{"id":"mp-1206752","created_at":"2022-09-04T14:48:10.088609Z","structure_string":"Ce1 Tl1\n1.0\n3.886391 0.000000 0.000000\n0.000000 3.886391 0.000000\n0.000000 0.000000 3.886391\nCe Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Tl\n","nsites":2,"nelements":2,"elements":["Ce","Tl"],"chemical_system":"Ce-Tl","density":9.745361776623868,"density_atomic":0.03407144246518579,"volume":58.70018570665449,"volume_molar":17.675039048180672,"formula_full":"Ce1 Tl1","formula_reduced":"CeTl","formula_anonymous":"AB","energy":-8.72024729,"energy_per_atom":-4.360123645,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.72024729,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.881699,"is_theoretical":true,"updated_at":"2021-11-28T01:38:32.927000Z","spacegroup":221},{"id":"mp-1176785","created_at":"2022-09-04T14:48:10.095283Z","structure_string":"Li1 Co3 Ni1 O8\n1.0\n2.866378 4.901342 0.000000\n-2.866378 4.901342 0.000000\n0.000000 3.241450 4.944875\nLi Co Ni O\n1 3 1 8\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.000000 0.000000 Ni\n0.213727 0.743330 0.798938 O\n0.228137 0.228137 0.808845 O\n0.743330 0.213727 0.798938 O\n0.740535 0.740535 0.798299 O\n0.259465 0.259465 0.201701 O\n0.256670 0.786273 0.201062 O\n0.771863 0.771863 0.191155 O\n0.786273 0.256670 0.201062 O\n","nsites":13,"nelements":4,"elements":["Li","Co","Ni","O"],"chemical_system":"Co-Li-Ni-O","density":4.427112019610359,"density_atomic":0.09356417010466732,"volume":138.9420756413198,"volume_molar":6.436374899989194,"formula_full":"Li1 Co3 Ni1 O8","formula_reduced":"LiCo3NiO8","formula_anonymous":"ABC3D8","energy":-83.8256872,"energy_per_atom":-6.448129784615385,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.8746872,"band_gap":0.3244,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":5.9980002,"is_theoretical":true,"updated_at":"2021-11-28T01:38:24.869000Z","spacegroup":12},{"id":"mp-1025740","created_at":"2022-09-04T14:48:10.113144Z","structure_string":"Mo1 W2 Se4 S2\n1.0\n1.637263 -2.835824 0.000000\n1.637263 2.835824 0.000000\n0.000000 0.000000 30.217048\nMo W Se S\n1 2 4 2\ndirect\n0.000000 0.000000 0.115646 Mo\n0.000000 0.000000 0.578321 W\n0.333333 0.666667 0.346985 W\n0.333333 0.666667 0.059728 Se\n0.333333 0.666667 0.522021 Se\n0.333333 0.666667 0.171567 Se\n0.333333 0.666667 0.634625 Se\n0.000000 0.000000 0.398094 S\n0.000000 0.000000 0.295854 S\n","nsites":9,"nelements":4,"elements":["Mo","W","Se","S"],"chemical_system":"Mo-S-Se-W","density":4.9923010784065225,"density_atomic":0.03207471145789794,"volume":280.59488584374714,"volume_molar":18.775354434301963,"formula_full":"Mo1 W2 Se4 S2","formula_reduced":"MoW2(Se2S)2","formula_anonymous":"AB2C2D4","energy":-67.94545304,"energy_per_atom":-7.549494782222222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.05145304,"band_gap":0.7225999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002046,"is_theoretical":true,"updated_at":"2021-11-28T01:38:34.824000Z","spacegroup":156},{"id":"mp-779517","created_at":"2022-09-04T14:48:10.114507Z","structure_string":"Sr3 Hf2 O7\n1.0\n-2.065894 2.065894 10.516378\n2.065894 -2.065894 10.516378\n2.065894 2.065894 -10.516378\nSr Hf O\n3 2 7\ndirect\n0.500000 0.500000 0.000000 Sr\n0.686516 0.686516 0.000000 Sr\n0.313484 0.313484 0.000000 Sr\n0.900573 0.900573 0.000000 Hf\n0.099427 0.099427 0.000000 Hf\n0.000000 0.000000 0.000000 O\n0.097677 0.597677 0.500000 O\n0.402323 0.902323 0.500000 O\n0.801765 0.801765 0.000000 O\n0.198235 0.198235 0.000000 O\n0.597677 0.097677 0.500000 O\n0.902323 0.402323 0.500000 O\n","nsites":12,"nelements":3,"elements":["Sr","Hf","O"],"chemical_system":"Hf-O-Sr","density":6.768937436561916,"density_atomic":0.06684039351892283,"volume":179.53215665318822,"volume_molar":9.009732652598917,"formula_full":"Sr3 Hf2 O7","formula_reduced":"Sr3Hf2O7","formula_anonymous":"A2B3C7","energy":-103.64791716,"energy_per_atom":-8.63732643,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.83891716,"band_gap":3.6592,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002668,"is_theoretical":true,"updated_at":"2021-11-28T01:38:33.191000Z","spacegroup":139},{"id":"mp-1096279","created_at":"2022-09-04T14:48:10.116261Z","structure_string":"Nb1 Tc1 W2\n1.0\n-4.558866 5.352047 7.896380\n4.558866 -5.352047 7.896380\n4.558866 5.352047 -7.896380\nNb Tc W\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Tc\n0.000000 0.254068 0.254068 W\n0.000000 0.745932 0.745932 W\n","nsites":4,"nelements":3,"elements":["Nb","Tc","W"],"chemical_system":"Nb-Tc-W","density":1.2035791694234979,"density_atomic":0.005190332908995733,"volume":770.6634757603539,"volume_molar":116.02609824049247,"formula_full":"Nb1 Tc1 W2","formula_reduced":"NbTcW2","formula_anonymous":"ABC2","energy":-27.05584626,"energy_per_atom":-6.763961565,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.05584626,"band_gap":0.0415999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.5908336,"is_theoretical":true,"updated_at":"2021-11-28T01:38:35.415000Z","spacegroup":71},{"id":"mp-29972","created_at":"2022-09-04T14:48:10.117312Z","structure_string":"Nd8 P12 Au4\n1.0\n7.770519 0.000000 0.000000\n0.000000 4.191552 0.000000\n0.000000 4.055548 16.218788\nNd P Au\n8 12 4\ndirect\n0.104784 0.440766 0.298815 Nd\n0.731297 0.258089 0.474878 Nd\n0.768703 0.258089 0.974878 Nd\n0.268703 0.741911 0.525122 Nd\n0.895216 0.559234 0.701185 Nd\n0.395216 0.440766 0.798815 Nd\n0.604784 0.559234 0.201185 Nd\n0.231297 0.741911 0.025122 Nd\n0.616321 0.655586 0.585975 P\n0.116321 0.344414 0.914025 P\n0.383679 0.344414 0.414025 P\n0.883679 0.655586 0.085975 P\n0.536031 0.821378 0.906550 P\n0.036031 0.178622 0.593450 P\n0.463969 0.178622 0.093450 P\n0.963969 0.821378 0.406550 P\n0.704906 0.992292 0.799078 P\n0.795094 0.992292 0.299078 P\n0.295094 0.007708 0.200922 P\n0.204906 0.007708 0.700922 P\n0.482344 0.909807 0.345326 Au\n0.982344 0.090193 0.154674 Au\n0.517656 0.090193 0.654674 Au\n0.017656 0.909807 0.845326 Au\n","nsites":24,"nelements":3,"elements":["Nd","P","Au"],"chemical_system":"Au-Nd-P","density":7.272319614705752,"density_atomic":0.04543263854352138,"volume":528.2545933802553,"volume_molar":13.255097993551923,"formula_full":"Nd8 P12 Au4","formula_reduced":"Nd2P3Au","formula_anonymous":"AB2C3","energy":-140.72914629,"energy_per_atom":-5.86371442875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.72914629,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009322,"is_theoretical":false,"updated_at":"2021-11-28T01:38:30.075000Z","spacegroup":14},{"id":"mp-1233964","created_at":"2022-09-04T14:48:10.118871Z","structure_string":"Sr2 Ca1 Ti6 N2 O11\n1.0\n-0.205039 3.904719 0.083342\n-7.434632 2.341846 0.377198\n-1.911929 0.315023 9.888606\nSr Ca Ti N O\n2 1 6 2 11\ndirect\n0.614405 0.948422 0.825106 Sr\n0.464151 0.060774 0.173611 Sr\n0.324047 0.937960 0.513566 Ca\n0.179401 0.718538 0.066662 Ti\n0.145263 0.646455 0.406091 Ti\n0.200732 0.538917 0.746595 Ti\n0.794385 0.467338 0.237876 Ti\n0.864911 0.339235 0.571873 Ti\n0.855955 0.277040 0.934318 Ti\n0.248299 0.541717 0.248641 N\n0.834689 0.327407 0.104350 N\n0.007291 0.902229 0.335369 O\n0.965856 0.770089 0.626835 O\n0.195342 0.664656 0.897373 O\n0.653331 0.738772 0.097011 O\n0.664148 0.624141 0.434326 O\n0.745403 0.468957 0.749195 O\n0.310229 0.411331 0.572904 O\n0.364811 0.270596 0.891118 O\n0.967294 0.257641 0.406785 O\n0.044944 0.104347 0.680277 O\n0.012440 0.001784 0.999101 O\n","nsites":22,"nelements":5,"elements":["Sr","Ca","Ti","N","O"],"chemical_system":"Ca-N-O-Sr-Ti","density":4.194461490227549,"density_atomic":0.07865406171940467,"volume":279.705834880901,"volume_molar":7.656490495664108,"formula_full":"Sr2 Ca1 Ti6 N2 O11","formula_reduced":"Sr2CaTi6N2O11","formula_anonymous":"AB2C2D6E11","energy":-191.99620056,"energy_per_atom":-8.727100025454545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-183.71720056,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006534,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.947000Z","spacegroup":1},{"id":"mp-29716","created_at":"2022-09-04T14:48:10.120683Z","structure_string":"Ta2 Te2 Br18\n1.0\n12.508734 0.000000 0.000000\n0.000000 7.316396 0.000000\n0.000000 2.478667 10.179360\nTa Te Br\n2 2 18\ndirect\n0.250000 0.645754 0.854088 Ta\n0.750000 0.354246 0.145912 Ta\n0.250000 0.757959 0.468656 Te\n0.750000 0.242041 0.531344 Te\n0.608921 0.446857 0.308181 Br\n0.108921 0.553143 0.691819 Br\n0.391079 0.553143 0.691819 Br\n0.891079 0.446857 0.308181 Br\n0.750000 0.679950 0.014884 Br\n0.250000 0.320050 0.985116 Br\n0.750000 0.509800 0.649489 Br\n0.250000 0.490200 0.350511 Br\n0.750000 0.025097 0.317898 Br\n0.250000 0.974903 0.682102 Br\n0.895957 0.245253 0.026271 Br\n0.395957 0.754747 0.973729 Br\n0.104043 0.754747 0.973729 Br\n0.604043 0.245253 0.026271 Br\n0.902389 0.053614 0.662414 Br\n0.402389 0.946386 0.337586 Br\n0.097611 0.946386 0.337586 Br\n0.597611 0.053614 0.662414 Br\n","nsites":22,"nelements":3,"elements":["Ta","Te","Br"],"chemical_system":"Br-Ta-Te","density":3.663596224594141,"density_atomic":0.02361520098566533,"volume":931.6033352142218,"volume_molar":25.50112007793413,"formula_full":"Ta2 Te2 Br18","formula_reduced":"TaTeBr9","formula_anonymous":"ABC9","energy":-84.33958158,"energy_per_atom":-3.8336173445454547,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.72758158,"band_gap":1.9637,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004902,"is_theoretical":false,"updated_at":"2021-11-28T01:38:25.671000Z","spacegroup":11},{"id":"mp-1196732","created_at":"2022-09-04T14:48:10.292449Z","structure_string":"Rb12 H24 I36 O108\n1.0\n8.157613 0.000000 -3.124894\n-8.133358 0.000000 -10.488473\n0.000000 25.999036 0.000000\nRb H I O\n12 24 36 108\ndirect\n0.422490 0.751996 0.073993 Rb\n0.077510 0.748004 0.573993 Rb\n0.577510 0.248004 0.926007 Rb\n0.922490 0.251996 0.426007 Rb\n0.681506 0.429994 0.075240 Rb\n0.818494 0.070006 0.575240 Rb\n0.318494 0.570006 0.924760 Rb\n0.181506 0.929994 0.424760 Rb\n0.072250 0.098611 0.071663 Rb\n0.427750 0.401389 0.571663 Rb\n0.927750 0.901389 0.928337 Rb\n0.572250 0.598611 0.428337 Rb\n0.304515 0.340121 0.010345 H\n0.195485 0.159879 0.510345 H\n0.695485 0.659879 0.989655 H\n0.804515 0.840121 0.489655 H\n0.887607 0.280378 0.106942 H\n0.612393 0.219622 0.606942 H\n0.112393 0.719622 0.893058 H\n0.387607 0.780378 0.393058 H\n0.670556 0.016280 0.007023 H\n0.829444 0.483720 0.507023 H\n0.329444 0.983720 0.992977 H\n0.170556 0.516280 0.492977 H\n0.245178 0.944986 0.103829 H\n0.254822 0.555014 0.603829 H\n0.754822 0.055014 0.896171 H\n0.745178 0.444986 0.396171 H\n0.085671 0.623285 0.047142 H\n0.414329 0.876715 0.547142 H\n0.914329 0.376715 0.952858 H\n0.585671 0.123285 0.452858 H\n0.043539 0.688047 0.000965 H\n0.456461 0.811953 0.500965 H\n0.956461 0.311953 0.999035 H\n0.543539 0.188047 0.499035 H\n0.411404 0.229812 0.195104 I\n0.088596 0.270188 0.695104 I\n0.588596 0.770188 0.804896 I\n0.911404 0.729812 0.304896 I\n0.010017 0.050331 0.297531 I\n0.489983 0.449669 0.797531 I\n0.989983 0.949669 0.702469 I\n0.510017 0.550331 0.202469 I\n0.024108 0.578985 0.182524 I\n0.475892 0.921015 0.682524 I\n0.975892 0.421015 0.817476 I\n0.524108 0.078985 0.317476 I\n0.766994 0.904396 0.194821 I\n0.733006 0.595604 0.694821 I\n0.233006 0.095604 0.805179 I\n0.266994 0.404396 0.305179 I\n0.883969 0.770194 0.085614 I\n0.616031 0.729806 0.585614 I\n0.116031 0.229806 0.914386 I\n0.383969 0.270194 0.414386 I\n0.194506 0.422680 0.083181 I\n0.305494 0.077320 0.583181 I\n0.805494 0.577320 0.916819 I\n0.694506 0.922680 0.416819 I\n0.904842 0.232137 0.198737 I\n0.595158 0.267863 0.698737 I\n0.095158 0.767863 0.801263 I\n0.404842 0.732137 0.301263 I\n0.556557 0.092591 0.080627 I\n0.943443 0.407409 0.580627 I\n0.443443 0.907409 0.919373 I\n0.056557 0.592591 0.419373 I\n0.265067 0.896598 0.195387 I\n0.234933 0.603402 0.695387 I\n0.734933 0.103402 0.804613 I\n0.765067 0.396598 0.304613 I\n0.499388 0.363391 0.170558 O\n0.000612 0.136609 0.670558 O\n0.500612 0.636609 0.829442 O\n0.999388 0.863391 0.329442 O\n0.585517 0.201348 0.224972 O\n0.914483 0.298652 0.724972 O\n0.414483 0.798652 0.775028 O\n0.085517 0.701348 0.275028 O\n0.390423 0.162887 0.131807 O\n0.109577 0.337113 0.631807 O\n0.609577 0.837113 0.868193 O\n0.890423 0.662887 0.368193 O\n0.956731 0.065726 0.363668 O\n0.543269 0.434274 0.863668 O\n0.043269 0.934274 0.636332 O\n0.456731 0.565726 0.136332 O\n0.044582 0.187110 0.273049 O\n0.455418 0.312890 0.773049 O\n0.955418 0.812890 0.726951 O\n0.544582 0.687110 0.226951 O\n0.800197 0.997014 0.270704 O\n0.699803 0.502986 0.770704 O\n0.199803 0.002986 0.729296 O\n0.300197 0.497014 0.229296 O\n0.179592 0.694767 0.160939 O\n0.320408 0.805233 0.660939 O\n0.820408 0.305233 0.839061 O\n0.679592 0.194767 0.339061 O\n0.841811 0.612332 0.165333 O\n0.658189 0.887668 0.665333 O\n0.158189 0.387668 0.834667 O\n0.341811 0.112332 0.334667 O\n0.018688 0.495243 0.124004 O\n0.481312 0.004757 0.624004 O\n0.981312 0.504757 0.875996 O\n0.518688 0.995243 0.375996 O\n0.861091 0.029262 0.163658 O\n0.638909 0.470738 0.663658 O\n0.138909 0.970738 0.836342 O\n0.361091 0.529262 0.336342 O\n0.933481 0.856703 0.215223 O\n0.566519 0.643297 0.715223 O\n0.066519 0.143297 0.784777 O\n0.433481 0.356703 0.284777 O\n0.732757 0.824534 0.127672 O\n0.767243 0.675466 0.627672 O\n0.267243 0.175466 0.872328 O\n0.232757 0.324534 0.372328 O\n0.936004 0.874570 0.038971 O\n0.563996 0.625430 0.538971 O\n0.063996 0.125430 0.961029 O\n0.436004 0.374570 0.461029 O\n0.719499 0.675522 0.053237 O\n0.780501 0.824478 0.553237 O\n0.280501 0.324478 0.946763 O\n0.219499 0.175522 0.446763 O\n0.216925 0.526860 0.036324 O\n0.283075 0.973140 0.536324 O\n0.783075 0.473140 0.963676 O\n0.716925 0.026860 0.463676 O\n0.009957 0.325539 0.060528 O\n0.490043 0.174461 0.560528 O\n0.990043 0.674461 0.939472 O\n0.509957 0.825539 0.439472 O\n0.335374 0.353882 0.047852 O\n0.164626 0.146118 0.547852 O\n0.664626 0.646118 0.952148 O\n0.835374 0.853882 0.452148 O\n0.099025 0.260260 0.167762 O\n0.400975 0.239740 0.667762 O\n0.900975 0.739740 0.832238 O\n0.599025 0.760260 0.332238 O\n0.923154 0.361002 0.228182 O\n0.576846 0.138998 0.728182 O\n0.076846 0.638998 0.771818 O\n0.423154 0.861002 0.271818 O\n0.799969 0.250288 0.133568 O\n0.700031 0.249712 0.633568 O\n0.200031 0.749712 0.866432 O\n0.299969 0.750288 0.366432 O\n0.582127 0.201071 0.036928 O\n0.917873 0.298929 0.536928 O\n0.417873 0.798929 0.963072 O\n0.082127 0.701071 0.463072 O\n0.367019 0.002014 0.056968 O\n0.132981 0.497986 0.556968 O\n0.632981 0.997986 0.943032 O\n0.867019 0.502014 0.443032 O\n0.696928 0.024245 0.044949 O\n0.803072 0.475755 0.544949 O\n0.303072 0.975754 0.955051 O\n0.196928 0.524246 0.455051 O\n0.278822 0.022252 0.225838 O\n0.221178 0.477748 0.725838 O\n0.721178 0.977748 0.774162 O\n0.778822 0.522252 0.274162 O\n0.457770 0.920639 0.163232 O\n0.042230 0.579361 0.663232 O\n0.542230 0.079361 0.836768 O\n0.957770 0.420639 0.336768 O\n0.158532 0.915198 0.130619 O\n0.341468 0.584802 0.630619 O\n0.841468 0.084802 0.869381 O\n0.658532 0.415198 0.369381 O\n0.074398 0.693074 0.038424 O\n0.425602 0.806926 0.538424 O\n0.925602 0.306926 0.961576 O\n0.574398 0.193074 0.461576 O\n","nsites":180,"nelements":4,"elements":["Rb","H","I","O"],"chemical_system":"H-I-O-Rb","density":4.227935837549862,"density_atomic":0.062385422317900015,"volume":2885.2894364129884,"volume_molar":9.65312173301116,"formula_full":"Rb12 H24 I36 O108","formula_reduced":"RbH2(IO3)3","formula_anonymous":"AB2C3D9","energy":-875.6136153,"energy_per_atom":-4.864520085,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-801.4176153000001,"band_gap":3.2431,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.3e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:38:32.395000Z","spacegroup":14},{"id":"mp-759608","created_at":"2022-09-04T14:48:08.265042Z","structure_string":"Li4 Fe8 P12 O48\n1.0\n8.779168 0.000000 0.000000\n0.008101 8.819961 0.000000\n0.026072 0.046504 12.274215\nLi Fe P O\n4 8 12 48\ndirect\n0.709150 0.727595 0.685894 Li\n0.215744 0.778116 0.180721 Li\n0.066101 0.090395 0.708587 Li\n0.061163 0.408810 0.288174 Li\n0.741423 0.044827 0.615653 Fe\n0.738789 0.466659 0.380853 Fe\n0.752310 0.533511 0.886584 Fe\n0.753615 0.960208 0.117903 Fe\n0.255687 0.034774 0.886911 Fe\n0.257686 0.456100 0.109940 Fe\n0.249153 0.537970 0.618283 Fe\n0.249610 0.966266 0.386809 Fe\n0.958968 0.751606 0.502290 P\n0.892560 0.895616 0.852262 P\n0.896889 0.608434 0.146630 P\n0.605075 0.396718 0.645983 P\n0.607544 0.107003 0.354212 P\n0.540204 0.248464 0.998509 P\n0.466547 0.747288 0.000964 P\n0.389760 0.893642 0.647561 P\n0.381792 0.603103 0.351756 P\n0.106055 0.107641 0.146751 P\n0.109477 0.390523 0.853683 P\n0.037023 0.250531 0.499498 P\n0.939361 0.346991 0.420834 O\n0.944049 0.145219 0.575234 O\n0.936435 0.412860 0.843140 O\n0.930876 0.094326 0.147171 O\n0.839477 0.562359 0.033993 O\n0.830426 0.940544 0.964037 O\n0.869366 0.644280 0.427617 O\n0.843679 0.838022 0.574765 O\n0.835223 0.734964 0.823015 O\n0.852812 0.772837 0.171419 O\n0.844326 0.010553 0.763012 O\n0.838845 0.494076 0.233914 O\n0.671560 0.512383 0.728379 O\n0.682466 0.999204 0.271424 O\n0.646732 0.273364 0.328834 O\n0.652021 0.233119 0.670394 O\n0.650821 0.340910 0.928138 O\n0.632376 0.141141 0.071344 O\n0.661669 0.445483 0.532544 O\n0.661597 0.063065 0.468342 O\n0.556301 0.589855 0.343681 O\n0.564119 0.910175 0.663488 O\n0.562598 0.641609 0.930970 O\n0.566087 0.842509 0.078408 O\n0.444775 0.349846 0.073356 O\n0.439439 0.155879 0.920831 O\n0.429702 0.406583 0.649189 O\n0.434003 0.087168 0.341170 O\n0.343771 0.931320 0.529799 O\n0.328919 0.566845 0.468187 O\n0.378593 0.855650 0.926020 O\n0.351898 0.661434 0.074685 O\n0.332356 0.767227 0.322064 O\n0.352373 0.725265 0.671576 O\n0.296593 0.998808 0.724021 O\n0.301991 0.491906 0.272817 O\n0.180380 0.501364 0.771058 O\n0.170124 0.990832 0.229796 O\n0.144402 0.222491 0.825997 O\n0.146681 0.273504 0.174581 O\n0.131377 0.352738 0.574651 O\n0.146968 0.160239 0.426745 O\n0.167803 0.431057 0.966781 O\n0.169616 0.060892 0.035545 O\n0.073655 0.597290 0.153162 O\n0.068549 0.902401 0.855784 O\n0.060050 0.657631 0.580023 O\n0.057669 0.855981 0.431624 O\n","nsites":72,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":2.820248657163014,"density_atomic":0.07575629830742305,"volume":950.4160262400917,"volume_molar":7.9493598480245655,"formula_full":"Li4 Fe8 P12 O48","formula_reduced":"LiFe2(PO4)3","formula_anonymous":"AB2C3D12","energy":-539.7362065899999,"energy_per_atom":-7.496336202638888,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-488.71220659,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":47.9974524,"is_theoretical":true,"updated_at":"2021-11-28T01:38:32.756000Z","spacegroup":1}]}