{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=27","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=25","results":[{"id":"mp-1194316","created_at":"2022-09-04T14:43:19.636976Z","structure_string":"Na2 Ti6 O18\n1.0\n0.000000 3.757926 0.000000\n-6.858969 1.878962 -4.325523\n-6.859639 1.878962 8.188068\nNa Ti O\n2 6 18\ndirect\n0.182741 0.952352 0.682166 Na\n0.817259 0.047648 0.317834 Na\n0.260095 0.386288 0.093522 Ti\n0.739905 0.613712 0.906478 Ti\n0.911152 0.542662 0.635033 Ti\n0.088848 0.457338 0.364967 Ti\n0.440092 0.304842 0.814973 Ti\n0.559908 0.695158 0.185027 Ti\n0.264012 0.552011 0.919965 O\n0.735988 0.447989 0.080035 O\n0.390569 0.229815 0.989046 O\n0.609431 0.770185 0.010954 O\n0.643990 0.164119 0.547901 O\n0.356010 0.835881 0.452099 O\n0.772919 0.716410 0.737751 O\n0.227081 0.283590 0.262249 O\n0.906326 0.378675 0.808673 O\n0.093674 0.621325 0.191327 O\n0.933277 0.662792 0.470654 O\n0.066723 0.337208 0.529346 O\n0.426247 0.489130 0.658375 O\n0.573753 0.510870 0.341625 O\n0.030648 0.994823 0.943881 O\n0.969352 0.005177 0.056119 O\n0.569745 0.115236 0.745275 O\n0.430255 0.884764 0.254725 O\n","nsites":26,"nelements":3,"elements":["Na","Ti","O"],"chemical_system":"Na-O-Ti","density":3.1978375863908055,"density_atomic":0.08060642573541558,"volume":322.5549298680357,"volume_molar":7.471043040373996,"formula_full":"Na2 Ti6 O18","formula_reduced":"NaTi3O9","formula_anonymous":"AB3C9","energy":-194.76892019,"energy_per_atom":-7.491112315,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-191.87092019,"band_gap":0.3390999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9999342,"is_theoretical":true,"updated_at":"2021-11-28T01:36:09.180000Z","spacegroup":12},{"id":"mp-1201722","created_at":"2022-09-04T14:43:19.707922Z","structure_string":"Ge6 Sb8 O24\n1.0\n-5.324866 5.324866 5.324866\n5.324866 -5.324866 5.324866\n5.324866 5.324866 -5.324866\nGe Sb O\n6 8 24\ndirect\n0.375000 0.625000 0.750000 Ge\n0.125000 0.875000 0.250000 Ge\n0.250000 0.125000 0.875000 Ge\n0.750000 0.375000 0.625000 Ge\n0.625000 0.750000 0.375000 Ge\n0.875000 0.250000 0.125000 Ge\n0.500000 0.000000 0.694803 Sb\n0.694803 0.500000 0.000000 Sb\n0.805197 0.805197 0.805197 Sb\n0.000000 0.694803 0.500000 Sb\n0.194803 0.500000 0.000000 Sb\n0.500000 0.000000 0.194803 Sb\n0.305197 0.305197 0.305197 Sb\n0.000000 0.194803 0.500000 Sb\n0.214019 0.414385 0.558773 O\n0.144388 0.085615 0.299634 O\n0.355612 0.655246 0.941227 O\n0.285981 0.844754 0.200366 O\n0.058773 0.914385 0.714019 O\n0.799634 0.585615 0.644388 O\n0.441227 0.155246 0.855612 O\n0.700366 0.344754 0.785981 O\n0.414385 0.558773 0.214019 O\n0.085615 0.299634 0.144388 O\n0.655246 0.941227 0.355612 O\n0.844754 0.200366 0.285981 O\n0.914385 0.714019 0.058773 O\n0.585615 0.644388 0.799634 O\n0.155246 0.855612 0.441227 O\n0.344754 0.785981 0.700366 O\n0.558773 0.214019 0.414385 O\n0.299634 0.144388 0.085615 O\n0.941227 0.355612 0.655246 O\n0.200366 0.285981 0.844754 O\n0.714019 0.058773 0.914385 O\n0.644388 0.799634 0.585615 O\n0.855612 0.441227 0.155246 O\n0.785981 0.700366 0.344754 O\n","nsites":38,"nelements":3,"elements":["Ge","Sb","O"],"chemical_system":"Ge-O-Sb","density":4.932449437422763,"density_atomic":0.0629212809710998,"volume":603.9292178023788,"volume_molar":9.570912522849008,"formula_full":"Ge6 Sb8 O24","formula_reduced":"Ge3(SbO3)4","formula_anonymous":"A3B4C12","energy":-252.97583963,"energy_per_atom":-6.657258937631579,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-236.48783963,"band_gap":3.3397,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0005296,"is_theoretical":false,"updated_at":"2021-11-28T01:36:15.924000Z","spacegroup":220},{"id":"mp-705558","created_at":"2022-09-04T14:43:19.590398Z","structure_string":"Fe21 O27\n1.0\n8.584767 0.000000 0.000000\n0.091368 8.619758 0.000000\n0.160403 0.104811 8.775659\nFe O\n21 27\ndirect\n0.512573 0.489923 0.968914 Fe\n0.634290 0.177301 0.085026 Fe\n0.328383 0.917632 0.128004 Fe\n0.087788 0.629463 0.143770 Fe\n0.755557 0.756636 0.257723 Fe\n0.269429 0.264268 0.269962 Fe\n0.904858 0.129752 0.356993 Fe\n0.629815 0.403273 0.362938 Fe\n0.356354 0.627239 0.411751 Fe\n0.491004 0.965435 0.471087 Fe\n0.963889 0.518090 0.469996 Fe\n0.877674 0.871878 0.600468 Fe\n0.144627 0.085115 0.629813 Fe\n0.627747 0.619233 0.630981 Fe\n0.403521 0.331612 0.642320 Fe\n0.773852 0.238172 0.737728 Fe\n0.245881 0.734633 0.777377 Fe\n0.590918 0.881602 0.841331 Fe\n0.874065 0.593979 0.875671 Fe\n0.138459 0.360924 0.913845 Fe\n0.004377 0.033943 0.008447 Fe\n0.157796 0.390888 0.129725 O\n0.858426 0.670310 0.081380 O\n0.119818 0.867549 0.112538 O\n0.407964 0.118918 0.166240 O\n0.594318 0.394147 0.149212 O\n0.850433 0.121585 0.144025 O\n0.142003 0.610557 0.370202 O\n0.410010 0.822291 0.308550 O\n0.620123 0.621339 0.400823 O\n0.843590 0.347218 0.384992 O\n0.127381 0.145511 0.395021 O\n0.396374 0.391645 0.404415 O\n0.792265 0.933040 0.386668 O\n0.384113 0.630242 0.631451 O\n0.903739 0.111892 0.608933 O\n0.638573 0.383840 0.625206 O\n0.367859 0.108203 0.598860 O\n0.113399 0.866118 0.661591 O\n0.865583 0.637978 0.641887 O\n0.621776 0.857595 0.629684 O\n0.354901 0.385220 0.855021 O\n0.122282 0.147949 0.845620 O\n0.895399 0.372437 0.859901 O\n0.642911 0.650724 0.860233 O\n0.387105 0.839088 0.920601 O\n0.671894 0.082952 0.870974 O\n0.107006 0.598562 0.884206 O\n","nsites":48,"nelements":2,"elements":["Fe","O"],"chemical_system":"Fe-O","density":4.103433687571809,"density_atomic":0.07391590735906943,"volume":649.3866031681804,"volume_molar":8.147286524868843,"formula_full":"Fe21 O27","formula_reduced":"Fe7O9","formula_anonymous":"A7B9","energy":-378.89440131,"energy_per_atom":-7.8936333606249995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-312.96940131,"band_gap":0.8621999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":96.0004145,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.141000Z","spacegroup":1},{"id":"mp-1369855","created_at":"2022-09-04T14:43:19.707719Z","structure_string":"Ti2 Zn4 W2 O12\n1.0\n5.308713 0.000000 0.000000\n0.000000 5.279845 0.000000\n0.000000 5.083651 7.765541\nTi Zn W O\n2 4 2 12\ndirect\n0.000000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.031295 0.247305 0.746506 Zn\n0.531295 0.752695 0.753494 Zn\n0.968705 0.752695 0.253494 Zn\n0.468705 0.247305 0.246506 Zn\n0.000000 0.000000 0.500000 W\n0.500000 0.000000 0.000000 W\n0.326016 0.755817 0.565896 O\n0.826016 0.244183 0.934104 O\n0.673984 0.244183 0.434104 O\n0.173984 0.755817 0.065896 O\n0.187143 0.405624 0.431036 O\n0.687143 0.594376 0.068964 O\n0.812857 0.594376 0.568964 O\n0.312857 0.405624 0.931036 O\n0.421985 0.138266 0.744822 O\n0.921985 0.861734 0.755178 O\n0.078015 0.138266 0.244822 O\n0.578015 0.861734 0.255178 O\n","nsites":20,"nelements":4,"elements":["Ti","Zn","W","O"],"chemical_system":"O-Ti-W-Zn","density":6.996108974157175,"density_atomic":0.09188568522479754,"volume":217.66176038269913,"volume_molar":6.553948795470028,"formula_full":"Ti2 Zn4 W2 O12","formula_reduced":"TiZn2WO6","formula_anonymous":"ABC2D6","energy":-151.54222231,"energy_per_atom":-7.5771111155,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-134.42222231,"band_gap":1.5421999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0000019,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.095000Z","spacegroup":14},{"id":"mp-1105923","created_at":"2022-09-04T14:43:19.710703Z","structure_string":"Ho4 Si8 Mo6\n1.0\n6.932249 0.000000 0.000000\n0.000000 6.749592 0.000000\n0.000000 2.233716 6.497479\nHo Si Mo\n4 8 6\ndirect\n0.669371 0.438885 0.190783 Ho\n0.169371 0.061115 0.809217 Ho\n0.330629 0.561115 0.809217 Ho\n0.830629 0.938885 0.190783 Ho\n0.456037 0.131970 0.090260 Si\n0.956037 0.368030 0.909740 Si\n0.543963 0.868030 0.909740 Si\n0.043963 0.631970 0.090260 Si\n0.868263 0.128785 0.504324 Si\n0.368263 0.371215 0.495676 Si\n0.131737 0.871215 0.495676 Si\n0.631737 0.628785 0.504324 Si\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.162712 0.250555 0.248545 Mo\n0.662712 0.249445 0.751455 Mo\n0.837288 0.749445 0.751455 Mo\n0.337288 0.750555 0.248545 Mo\n","nsites":18,"nelements":3,"elements":["Ho","Si","Mo"],"chemical_system":"Ho-Mo-Si","density":7.974782780788479,"density_atomic":0.05920739390717534,"volume":304.01608333277073,"volume_molar":10.171264706299084,"formula_full":"Ho4 Si8 Mo6","formula_reduced":"Ho2Si4Mo3","formula_anonymous":"A2B3C4","energy":-138.49956075,"energy_per_atom":-7.694420041666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-139.06756075,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0067042,"is_theoretical":false,"updated_at":"2021-11-28T01:36:14.307000Z","spacegroup":14},{"id":"mp-5245","created_at":"2022-09-04T14:43:19.717398Z","structure_string":"Zn2 C4 N4\n1.0\n5.946454 0.000000 0.000000\n0.000000 5.946454 0.000000\n0.000000 0.000000 5.946454\nZn C N\n2 4 4\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.195514 0.804486 0.804486 C\n0.804486 0.804486 0.195514 C\n0.195514 0.195514 0.195514 C\n0.804486 0.195514 0.804486 C\n0.691264 0.691264 0.308736 N\n0.308736 0.691264 0.691264 N\n0.308736 0.308736 0.308736 N\n0.691264 0.308736 0.691264 N\n","nsites":10,"nelements":3,"elements":["Zn","C","N"],"chemical_system":"C-N-Zn","density":1.8549619132009412,"density_atomic":0.047558243813617125,"volume":210.2684876083828,"volume_molar":12.66266429769997,"formula_full":"Zn2 C4 N4","formula_reduced":"Zn(CN)2","formula_anonymous":"AB2C2","energy":-72.23907724,"energy_per_atom":-7.223907724,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.79507724,"band_gap":5.9232,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001467,"is_theoretical":false,"updated_at":"2021-11-28T01:36:06.859000Z","spacegroup":215},{"id":"mp-1104548","created_at":"2022-09-04T14:43:19.734754Z","structure_string":"Ta7 Co6\n1.0\n-2.476079 -4.288695 0.000000\n2.476079 -4.288695 0.000000\n0.000000 -2.859130 8.724974\nTa Co\n7 6\ndirect\n0.000000 0.000000 0.000000 Ta\n0.166836 0.166836 0.499492 Ta\n0.833164 0.833164 0.500508 Ta\n0.345698 0.345698 0.962906 Ta\n0.654302 0.654302 0.037094 Ta\n0.450861 0.450861 0.647416 Ta\n0.549139 0.549139 0.352584 Ta\n0.581303 0.092989 0.232718 Co\n0.092989 0.092989 0.232718 Co\n0.092989 0.581303 0.232718 Co\n0.418697 0.907011 0.767282 Co\n0.907011 0.907011 0.767282 Co\n0.907011 0.418697 0.767282 Co\n","nsites":13,"nelements":2,"elements":["Ta","Co"],"chemical_system":"Co-Ta","density":14.519214850940708,"density_atomic":0.07015514988096981,"volume":185.3035738938156,"volume_molar":8.584032348612453,"formula_full":"Ta7 Co6","formula_reduced":"Ta7Co6","formula_anonymous":"A6B7","energy":-128.92379245,"energy_per_atom":-9.917214803846154,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-128.92379245,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.002073,"is_theoretical":false,"updated_at":"2021-11-28T01:36:11.374000Z","spacegroup":166},{"id":"mp-1110953","created_at":"2022-09-04T14:43:19.745757Z","structure_string":"K3 Y1 I6\n1.0\n0.000000 6.363420 6.363420\n6.363420 0.000000 6.363420\n6.363420 6.363420 0.000000\nK Y I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Y\n0.762924 0.237076 0.237076 I\n0.237076 0.237076 0.762924 I\n0.237076 0.762924 0.762924 I\n0.237076 0.762924 0.237076 I\n0.762924 0.237076 0.762924 I\n0.762924 0.762924 0.237076 I\n","nsites":10,"nelements":3,"elements":["K","Y","I"],"chemical_system":"I-K-Y","density":3.117852531012228,"density_atomic":0.019404311533999116,"volume":515.3493842066273,"volume_molar":31.035065322716306,"formula_full":"K3 Y1 I6","formula_reduced":"K3YI6","formula_anonymous":"AB3C6","energy":-35.03616567,"energy_per_atom":-3.5036165670000003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.76216567,"band_gap":3.1873,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003575,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.069000Z","spacegroup":225},{"id":"mp-973796","created_at":"2022-09-04T14:43:19.763339Z","structure_string":"Pm1 Ho1\n1.0\n1.821562 -3.155038 0.000000\n1.821562 3.155038 0.000000\n0.000000 0.000000 5.768811\nPm Ho\n1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.333333 0.666667 0.500000 Ho\n","nsites":2,"nelements":2,"elements":["Pm","Ho"],"chemical_system":"Ho-Pm","density":7.761547213761901,"density_atomic":0.030162347364280275,"volume":66.30783658331903,"volume_molar":19.965756269791235,"formula_full":"Pm1 Ho1","formula_reduced":"PmHo","formula_anonymous":"AB","energy":-9.28152676,"energy_per_atom":-4.64076338,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.28152676,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0038694,"is_theoretical":true,"updated_at":"2021-11-28T01:36:11.296000Z","spacegroup":187},{"id":"mp-606949","created_at":"2022-09-04T14:43:19.844045Z","structure_string":"C12\n1.0\n1.233622 -2.136696 0.000000\n1.233622 2.136696 0.000000\n0.000000 0.000000 31.982971\nC\n12\ndirect\n0.666667 0.333333 0.633100 C\n0.666667 0.333333 0.133097 C\n0.666667 0.333333 0.366903 C\n0.666667 0.333333 0.866900 C\n0.000000 0.000000 0.250000 C\n0.333333 0.666667 0.866903 C\n0.000000 0.000000 0.750000 C\n0.666667 0.333333 0.250000 C\n0.333333 0.666667 0.366900 C\n0.333333 0.666667 0.750000 C\n0.333333 0.666667 0.133100 C\n0.333333 0.666667 0.633097 C\n","nsites":12,"nelements":1,"elements":["C"],"chemical_system":"C","density":1.4194660839334783,"density_atomic":0.07117174323267973,"volume":168.6062397090478,"volume_molar":8.461420904518228,"formula_full":"C12","formula_reduced":"C","formula_anonymous":"A","energy":-110.62110479,"energy_per_atom":-9.218425399166668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-110.62110479,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:14.163000Z","spacegroup":194},{"id":"mp-1211726","created_at":"2022-09-04T14:43:21.206703Z","structure_string":"K4 Rb8 Fe4 O10\n1.0\n-0.146803 0.000022 -6.976033\n-6.995434 0.000054 0.159138\n-0.000094 12.035099 -0.000036\nK Rb Fe O\n4 8 4 10\ndirect\n0.499999 0.499979 0.722910 K\n0.500005 0.000022 0.222913 K\n0.499993 0.499980 0.277089 K\n0.500003 0.000019 0.777083 K\n0.000007 0.499984 0.741720 Rb\n0.999991 0.000007 0.241720 Rb\n0.000007 0.499993 0.258282 Rb\n0.999990 0.000002 0.758276 Rb\n0.683734 0.335625 0.999998 Rb\n0.683766 0.835645 0.499999 Rb\n0.316246 0.664351 0.999995 Rb\n0.316260 0.164357 0.500001 Rb\n0.804801 0.302009 0.499992 Fe\n0.195168 0.198026 0.999984 Fe\n0.804797 0.802006 0.000003 Fe\n0.195225 0.697984 0.500006 Fe\n0.000014 0.000010 0.999999 O\n0.999998 0.499999 0.499996 O\n0.712287 0.703677 0.136928 O\n0.712310 0.203675 0.636908 O\n0.287688 0.296327 0.863085 O\n0.287673 0.796336 0.363088 O\n0.287688 0.296347 0.136918 O\n0.287718 0.796302 0.636915 O\n0.712318 0.703672 0.863099 O\n0.712314 0.203665 0.363090 O\n","nsites":26,"nelements":4,"elements":["K","Rb","Fe","O"],"chemical_system":"Fe-K-O-Rb","density":3.457608078049167,"density_atomic":0.04424789688606795,"volume":587.598548851854,"volume_molar":13.610004505990776,"formula_full":"K4 Rb8 Fe4 O10","formula_reduced":"K2Rb4Fe2O5","formula_anonymous":"A2B2C4D5","energy":-133.57074677,"energy_per_atom":-5.137336414230769,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-117.67674677,"band_gap":1.0154999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.461000Z","spacegroup":12},{"id":"mp-1196094","created_at":"2022-09-04T14:43:18.663813Z","structure_string":"Cr12 H16 N4 O32\n1.0\n0.000000 5.552693 0.000000\n0.000000 0.000000 8.874989\n14.839974 0.000000 0.000000\nCr H N O\n12 16 4 32\ndirect\n0.250000 0.494909 0.655869 Cr\n0.250000 0.005091 0.155869 Cr\n0.750000 0.505091 0.344131 Cr\n0.750000 0.994909 0.844131 Cr\n0.250000 0.746048 0.836863 Cr\n0.250000 0.753952 0.336863 Cr\n0.750000 0.253952 0.163137 Cr\n0.750000 0.246048 0.663137 Cr\n0.250000 0.319817 0.436776 Cr\n0.250000 0.180183 0.936776 Cr\n0.750000 0.680183 0.563224 Cr\n0.750000 0.819817 0.063224 Cr\n0.098886 0.894987 0.637790 H\n0.401114 0.605013 0.137790 H\n0.598886 0.105013 0.362210 H\n0.901114 0.394987 0.862210 H\n0.901114 0.105013 0.362210 H\n0.598886 0.394987 0.862210 H\n0.401114 0.894987 0.637790 H\n0.098886 0.605013 0.137790 H\n0.250000 0.010201 0.566050 H\n0.250000 0.489799 0.066050 H\n0.750000 0.989799 0.433950 H\n0.750000 0.510201 0.933950 H\n0.250000 0.044095 0.678322 H\n0.250000 0.455905 0.178322 H\n0.750000 0.955905 0.321678 H\n0.750000 0.544095 0.821678 H\n0.250000 0.961505 0.629875 N\n0.250000 0.538495 0.129875 N\n0.750000 0.038495 0.370125 N\n0.750000 0.461505 0.870125 N\n0.250000 0.578911 0.781843 O\n0.250000 0.921089 0.281843 O\n0.750000 0.421089 0.218157 O\n0.750000 0.078911 0.718157 O\n0.250000 0.426235 0.528982 O\n0.250000 0.073765 0.028982 O\n0.750000 0.573765 0.471018 O\n0.750000 0.926235 0.971018 O\n0.002704 0.846216 0.808542 O\n0.497296 0.653784 0.308542 O\n0.502704 0.153784 0.191458 O\n0.997296 0.346216 0.691458 O\n0.997296 0.153784 0.191458 O\n0.502704 0.346216 0.691458 O\n0.497296 0.846216 0.808542 O\n0.002704 0.653784 0.308542 O\n0.250000 0.712539 0.943317 O\n0.250000 0.787461 0.443317 O\n0.750000 0.287461 0.056683 O\n0.750000 0.212539 0.556683 O\n0.002881 0.353671 0.373759 O\n0.497119 0.146329 0.873759 O\n0.502881 0.646329 0.626241 O\n0.997119 0.853671 0.126241 O\n0.997119 0.646329 0.626241 O\n0.502881 0.853671 0.126241 O\n0.497119 0.353671 0.373759 O\n0.002881 0.146329 0.873759 O\n0.250000 0.140858 0.462041 O\n0.250000 0.359142 0.962041 O\n0.750000 0.859142 0.537959 O\n0.750000 0.640858 0.037959 O\n","nsites":64,"nelements":4,"elements":["Cr","H","N","O"],"chemical_system":"Cr-H-N-O","density":2.743108489866925,"density_atomic":0.08751355935383455,"volume":731.315243861073,"volume_molar":6.88138021635173,"formula_full":"Cr12 H16 N4 O32","formula_reduced":"Cr3H4NO8","formula_anonymous":"AB3C4D8","energy":-454.13906979,"energy_per_atom":-7.09592296546875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-406.72306979,"band_gap":1.9566,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":12.0026656,"is_theoretical":false,"updated_at":"2021-11-28T01:36:09.721000Z","spacegroup":62}]}