{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=12124","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=12122","results":[{"id":"mp-1202034","created_at":"2022-09-04T14:43:18.554731Z","structure_string":"Be12 As8 H40 N8 O40\n1.0\n8.688576 0.000000 0.000000\n0.000000 10.045608 0.000000\n0.000000 8.006566 11.145760\nBe As H N O\n12 8 40 8 40\ndirect\n0.570016 0.768578 0.333275 Be\n0.929984 0.768578 0.833275 Be\n0.429984 0.231422 0.666725 Be\n0.070016 0.231422 0.166725 Be\n0.566090 0.722277 0.686773 Be\n0.933910 0.722277 0.186773 Be\n0.433910 0.277723 0.313227 Be\n0.066090 0.277723 0.813227 Be\n0.768962 0.766088 0.504894 Be\n0.731038 0.766088 0.004894 Be\n0.231038 0.233912 0.495106 Be\n0.268962 0.233912 0.995106 Be\n0.633072 0.551780 0.258489 As\n0.866928 0.551780 0.758489 As\n0.366928 0.448220 0.741511 As\n0.133072 0.448220 0.241511 As\n0.361003 0.049966 0.248881 As\n0.138997 0.049966 0.748881 As\n0.638997 0.950034 0.751119 As\n0.861003 0.950034 0.251119 As\n0.745511 0.207423 0.912316 H\n0.754489 0.207423 0.412316 H\n0.254489 0.792577 0.087684 H\n0.245511 0.792577 0.587684 H\n0.103036 0.612649 0.525972 H\n0.396964 0.612649 0.025972 H\n0.896964 0.387351 0.474028 H\n0.603036 0.387351 0.974028 H\n0.082173 0.687945 0.377533 H\n0.417827 0.687945 0.877533 H\n0.917827 0.312055 0.622467 H\n0.582173 0.312055 0.122467 H\n0.552602 0.206932 0.934740 H\n0.947398 0.206932 0.434740 H\n0.447398 0.793068 0.065260 H\n0.052602 0.793068 0.565260 H\n0.632688 0.069075 0.913995 H\n0.867312 0.069075 0.413995 H\n0.367312 0.930925 0.086005 H\n0.132688 0.930925 0.586005 H\n0.663270 0.048139 0.043875 H\n0.836730 0.048139 0.543875 H\n0.336730 0.951861 0.956125 H\n0.163270 0.951861 0.456125 H\n0.196586 0.517655 0.476905 H\n0.303414 0.517655 0.976905 H\n0.803414 0.482345 0.523095 H\n0.696586 0.482345 0.023095 H\n0.571647 0.896405 0.492875 H\n0.928353 0.896405 0.992875 H\n0.428353 0.103595 0.507125 H\n0.071647 0.103595 0.007125 H\n0.251863 0.710154 0.424441 H\n0.248137 0.710154 0.924441 H\n0.748137 0.289846 0.575559 H\n0.751863 0.289846 0.075559 H\n0.598436 0.591722 0.526360 H\n0.901564 0.591722 0.026360 H\n0.401564 0.408278 0.473640 H\n0.098436 0.408278 0.973640 H\n0.648230 0.132769 0.952094 N\n0.851770 0.132769 0.452094 N\n0.351770 0.867231 0.047906 N\n0.148230 0.867231 0.547906 N\n0.156721 0.630965 0.452019 N\n0.343279 0.630965 0.952019 N\n0.843279 0.369035 0.547981 N\n0.656721 0.369035 0.047981 N\n0.649813 0.839917 0.554865 O\n0.850187 0.839917 0.054865 O\n0.350187 0.160083 0.445135 O\n0.149813 0.160083 0.945135 O\n0.668512 0.669963 0.461742 O\n0.831488 0.669963 0.961742 O\n0.331488 0.330037 0.538258 O\n0.168512 0.330037 0.038258 O\n0.870016 0.909514 0.391206 O\n0.629984 0.909514 0.891206 O\n0.129984 0.090486 0.608794 O\n0.370016 0.090486 0.108794 O\n0.410595 0.847456 0.351913 O\n0.089405 0.847456 0.851913 O\n0.589405 0.152544 0.648087 O\n0.910595 0.152544 0.148087 O\n0.898883 0.651446 0.606244 O\n0.601117 0.651446 0.106244 O\n0.101117 0.348554 0.393756 O\n0.398883 0.348554 0.893756 O\n0.487553 0.173107 0.259694 O\n0.012447 0.173107 0.759694 O\n0.512447 0.826893 0.740306 O\n0.987553 0.826893 0.240306 O\n0.512022 0.630930 0.312246 O\n0.987978 0.630930 0.812246 O\n0.487978 0.369070 0.687754 O\n0.012022 0.369070 0.187754 O\n0.596657 0.346536 0.331199 O\n0.903343 0.346536 0.831199 O\n0.403343 0.653464 0.668801 O\n0.096657 0.653464 0.168801 O\n0.676536 0.917559 0.222805 O\n0.823464 0.917559 0.722805 O\n0.323464 0.082441 0.777195 O\n0.176536 0.082441 0.277195 O\n0.822724 0.569809 0.282980 O\n0.677276 0.569809 0.782980 O\n0.177276 0.430191 0.717020 O\n0.322724 0.430191 0.217020 O\n","nsites":108,"nelements":5,"elements":["Be","As","H","N","O"],"chemical_system":"As-Be-H-N-O","density":2.5601599092397267,"density_atomic":0.11101693599239613,"volume":972.8245428012643,"volume_molar":5.424524381048017,"formula_full":"Be12 As8 H40 N8 O40","formula_reduced":"Be3As2H10(NO5)2","formula_anonymous":"A2B2C3D10E10","energy":-654.4110051800001,"energy_per_atom":-6.059361159074075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-624.04300518,"band_gap":4.0846,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0068957,"is_theoretical":false,"updated_at":"2021-11-28T01:36:04.661000Z","spacegroup":14},{"id":"mp-1047132","created_at":"2022-09-04T14:43:18.643249Z","structure_string":"Ca2 Ag4 O8\n1.0\n-3.025407 3.025407 6.322498\n3.025407 -3.025407 6.322498\n3.025407 3.025407 -6.322498\nCa Ag O\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Ca\n0.250000 0.750000 0.500000 Ca\n0.875000 0.125000 0.250000 Ag\n0.375000 0.125000 0.250000 Ag\n0.875000 0.625000 0.750000 Ag\n0.875000 0.125000 0.750000 Ag\n0.647362 0.872666 0.774696 O\n0.127334 0.902030 0.774696 O\n0.127334 0.352638 0.225304 O\n0.102638 0.377334 0.725304 O\n0.652030 0.377334 0.274696 O\n0.622666 0.347970 0.725304 O\n0.097970 0.872666 0.225304 O\n0.622666 0.897362 0.274696 O\n","nsites":14,"nelements":3,"elements":["Ca","Ag","O"],"chemical_system":"Ag-Ca-O","density":4.5883605983199445,"density_atomic":0.060479992536829855,"volume":231.48151004606308,"volume_molar":9.957244548819615,"formula_full":"Ca2 Ag4 O8","formula_reduced":"Ca(AgO2)2","formula_anonymous":"AB2C4","energy":-71.88943506999999,"energy_per_atom":-5.134959647857142,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.39343507,"band_gap":0.7873,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0032102,"is_theoretical":true,"updated_at":"2021-11-28T01:36:05.575000Z","spacegroup":141},{"id":"mp-1213687","created_at":"2022-09-04T14:43:18.643201Z","structure_string":"Cs4 Co4 P4 O16\n1.0\n5.519024 0.000000 0.000000\n0.000000 9.347415 0.000000\n0.000000 0.000000 9.638192\nCs Co P O\n4 4 4 16\ndirect\n0.500231 0.003132 0.300021 Cs\n0.000231 0.996868 0.699979 Cs\n0.500231 0.503132 0.199979 Cs\n0.000231 0.496868 0.800021 Cs\n0.994011 0.326155 0.418407 Co\n0.494011 0.673845 0.581593 Co\n0.994011 0.826155 0.081593 Co\n0.494011 0.173845 0.918407 Co\n0.994799 0.197971 0.088801 P\n0.494799 0.802029 0.911199 P\n0.994799 0.697971 0.411199 P\n0.494799 0.302029 0.588801 P\n0.313458 0.253275 0.473689 O\n0.813458 0.746725 0.526311 O\n0.313458 0.753275 0.026311 O\n0.813458 0.246725 0.973689 O\n0.252619 0.253494 0.048607 O\n0.752619 0.746506 0.951393 O\n0.252619 0.753494 0.451393 O\n0.752619 0.246506 0.548607 O\n0.996726 0.034188 0.103227 O\n0.496726 0.965812 0.896773 O\n0.996726 0.534188 0.396773 O\n0.496726 0.465812 0.603227 O\n0.415155 0.232958 0.727446 O\n0.915155 0.767042 0.272554 O\n0.415155 0.732958 0.772554 O\n0.915155 0.267042 0.227446 O\n","nsites":28,"nelements":4,"elements":["Cs","Co","P","O"],"chemical_system":"Co-Cs-O-P","density":3.83136926454309,"density_atomic":0.05631299820308608,"volume":497.2209062465713,"volume_molar":10.694051022255772,"formula_full":"Cs4 Co4 P4 O16","formula_reduced":"CsCoPO4","formula_anonymous":"ABCD4","energy":-199.11615458,"energy_per_atom":-7.111291235,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-181.57215458,"band_gap":3.0688000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0005648,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.109000Z","spacegroup":33},{"id":"mp-978907","created_at":"2022-09-04T14:43:18.645778Z","structure_string":"Tb1 Tl1 Ag2\n1.0\n0.000000 3.544998 3.544998\n3.544998 0.000000 3.544998\n3.544998 3.544998 0.000000\nTb Tl Ag\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Tl\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n","nsites":4,"nelements":3,"elements":["Tb","Tl","Ag"],"chemical_system":"Ag-Tb-Tl","density":10.79154116396562,"density_atomic":0.04489334978630333,"volume":89.10005644578509,"volume_molar":13.414327041011578,"formula_full":"Tb1 Tl1 Ag2","formula_reduced":"TbTlAg2","formula_anonymous":"ABC2","energy":-13.63584401,"energy_per_atom":-3.4089610025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.63584401,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0019342,"is_theoretical":true,"updated_at":"2021-11-28T01:36:10.472000Z","spacegroup":225},{"id":"mp-571363","created_at":"2022-09-04T14:43:18.671367Z","structure_string":"Yb1 Sb1 Pd1\n1.0\n0.000000 3.316779 3.316779\n3.316779 0.000000 3.316779\n3.316779 3.316779 0.000000\nYb Sb Pd\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Sb\n0.250000 0.250000 0.250000 Pd\n","nsites":3,"nelements":3,"elements":["Yb","Sb","Pd"],"chemical_system":"Pd-Sb-Yb","density":9.129606732517198,"density_atomic":0.0411094488153597,"volume":72.97592369759799,"volume_molar":14.649042819931827,"formula_full":"Yb1 Sb1 Pd1","formula_reduced":"YbSbPd","formula_anonymous":"ABC","energy":-13.54633741,"energy_per_atom":-4.515445803333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.54633741,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0080752,"is_theoretical":false,"updated_at":"2021-11-28T01:36:06.875000Z","spacegroup":216},{"id":"mp-728527","created_at":"2022-09-04T14:43:18.754163Z","structure_string":"Mo16 H64 O80\n1.0\n14.058399 0.000000 0.000000\n0.000000 10.598161 0.000000\n0.000000 10.300686 10.778431\nMo H O\n16 64 80\ndirect\n0.751300 0.026916 0.355725 Mo\n0.748700 0.026916 0.855725 Mo\n0.248700 0.973084 0.644275 Mo\n0.251300 0.973084 0.144275 Mo\n0.746359 0.466275 0.882589 Mo\n0.753641 0.466275 0.382589 Mo\n0.253641 0.533725 0.117411 Mo\n0.246359 0.533725 0.617411 Mo\n0.755587 0.970497 0.138971 Mo\n0.744413 0.970497 0.638971 Mo\n0.244413 0.029503 0.861029 Mo\n0.255587 0.029503 0.361029 Mo\n0.748941 0.533867 0.604384 Mo\n0.751059 0.533867 0.104384 Mo\n0.251059 0.466133 0.395616 Mo\n0.248941 0.466133 0.895616 Mo\n0.563318 0.921034 0.464729 H\n0.936682 0.921034 0.964729 H\n0.436682 0.078966 0.535271 H\n0.063318 0.078966 0.035271 H\n0.559315 0.125159 0.373744 H\n0.940685 0.125159 0.873744 H\n0.440685 0.874841 0.626256 H\n0.059315 0.874841 0.126256 H\n0.557778 0.404136 0.978658 H\n0.942222 0.404136 0.478658 H\n0.442222 0.595864 0.021342 H\n0.057778 0.595864 0.521342 H\n0.564415 0.610293 0.881645 H\n0.935585 0.610293 0.381645 H\n0.435585 0.389707 0.118355 H\n0.064415 0.389707 0.618355 H\n0.564137 0.893195 0.223931 H\n0.935863 0.893195 0.723931 H\n0.435863 0.106805 0.776069 H\n0.064137 0.106805 0.276069 H\n0.936528 0.873515 0.628695 H\n0.563472 0.873515 0.128695 H\n0.063472 0.126485 0.371305 H\n0.436528 0.126485 0.871305 H\n0.564428 0.396891 0.718683 H\n0.935572 0.396891 0.218683 H\n0.435572 0.603109 0.281317 H\n0.064428 0.603109 0.781317 H\n0.934123 0.378153 0.122917 H\n0.565877 0.378153 0.622917 H\n0.065877 0.621847 0.877083 H\n0.434123 0.621847 0.377083 H\n0.545828 0.699555 0.442395 H\n0.954172 0.699555 0.942395 H\n0.454172 0.300445 0.557605 H\n0.045828 0.300445 0.057605 H\n0.961253 0.164977 0.124152 H\n0.538747 0.164977 0.624152 H\n0.038747 0.835023 0.875848 H\n0.461253 0.835023 0.375848 H\n0.546047 0.167972 0.190526 H\n0.953953 0.167972 0.690526 H\n0.453953 0.832028 0.809474 H\n0.046047 0.832028 0.309474 H\n0.957640 0.838419 0.371186 H\n0.542360 0.838419 0.871186 H\n0.042360 0.161581 0.628814 H\n0.457640 0.161581 0.128814 H\n0.551830 0.200157 0.936206 H\n0.948170 0.200157 0.436206 H\n0.448170 0.799843 0.063794 H\n0.051830 0.799843 0.563794 H\n0.963646 0.672841 0.623042 H\n0.536354 0.672841 0.123042 H\n0.036354 0.327159 0.376958 H\n0.463646 0.327159 0.876958 H\n0.561592 0.679956 0.675106 H\n0.938408 0.679956 0.175106 H\n0.438408 0.320044 0.324894 H\n0.061592 0.320044 0.824894 H\n0.965174 0.331685 0.873141 H\n0.534826 0.331685 0.373141 H\n0.034826 0.668315 0.126859 H\n0.465174 0.668315 0.626859 H\n0.871927 0.985552 0.359686 O\n0.628073 0.985552 0.859686 O\n0.128073 0.014448 0.640314 O\n0.371927 0.014448 0.140314 O\n0.868535 0.453704 0.870983 O\n0.631465 0.453704 0.370983 O\n0.131465 0.546296 0.129017 O\n0.368535 0.546296 0.629017 O\n0.873091 0.035574 0.124304 O\n0.626909 0.035574 0.624304 O\n0.126909 0.964426 0.875696 O\n0.373091 0.964426 0.375696 O\n0.869659 0.561747 0.612234 O\n0.630341 0.561747 0.112234 O\n0.130341 0.438253 0.387766 O\n0.369659 0.438253 0.887766 O\n0.711936 0.035709 0.231978 O\n0.788064 0.035709 0.731978 O\n0.288064 0.964291 0.768022 O\n0.211936 0.964291 0.268022 O\n0.711109 0.757876 0.478601 O\n0.788891 0.757876 0.978601 O\n0.288891 0.242124 0.521399 O\n0.211109 0.242124 0.021399 O\n0.760822 0.738809 0.276965 O\n0.739178 0.738809 0.776965 O\n0.239178 0.261191 0.723035 O\n0.260822 0.261191 0.223035 O\n0.752524 0.463997 0.019300 O\n0.747476 0.463997 0.519300 O\n0.247476 0.536003 0.980700 O\n0.252524 0.536003 0.480700 O\n0.748081 0.958395 0.021320 O\n0.751919 0.958395 0.521320 O\n0.251919 0.041605 0.978680 O\n0.248081 0.041605 0.478680 O\n0.712502 0.239437 0.988079 O\n0.787498 0.239437 0.488079 O\n0.287498 0.760563 0.011921 O\n0.212502 0.760563 0.511921 O\n0.753672 0.256638 0.768102 O\n0.746328 0.256638 0.268102 O\n0.246328 0.743362 0.231898 O\n0.253672 0.743362 0.731898 O\n0.707033 0.535103 0.733333 O\n0.792967 0.535103 0.233333 O\n0.292967 0.464897 0.266667 O\n0.207033 0.464897 0.766667 O\n0.589073 0.030009 0.384319 O\n0.910927 0.030009 0.884319 O\n0.410927 0.969991 0.615681 O\n0.089073 0.969991 0.115681 O\n0.587009 0.507102 0.897941 O\n0.912991 0.507102 0.397941 O\n0.412991 0.492898 0.102059 O\n0.087009 0.492898 0.602059 O\n0.592515 0.943752 0.143723 O\n0.907485 0.943752 0.643723 O\n0.407485 0.056248 0.856277 O\n0.092515 0.056248 0.356277 O\n0.589678 0.453728 0.635600 O\n0.910322 0.453728 0.135600 O\n0.410322 0.546272 0.364400 O\n0.089678 0.546272 0.864400 O\n0.503011 0.765135 0.370624 O\n0.996989 0.765135 0.870624 O\n0.496989 0.234865 0.629376 O\n0.003011 0.234865 0.129376 O\n0.500733 0.241867 0.121771 O\n0.999267 0.241867 0.621771 O\n0.499267 0.758133 0.878229 O\n0.000733 0.758133 0.378229 O\n0.506196 0.262484 0.867595 O\n0.993804 0.262484 0.367595 O\n0.493804 0.737516 0.132405 O\n0.006196 0.737516 0.632405 O\n0.509589 0.750702 0.615431 O\n0.990411 0.750702 0.115431 O\n0.490411 0.249298 0.384569 O\n0.009589 0.249298 0.884569 O\n","nsites":160,"nelements":3,"elements":["Mo","H","O"],"chemical_system":"H-Mo-O","density":2.9774486534167472,"density_atomic":0.0996318188931487,"volume":1605.9126670325456,"volume_molar":6.0443950807106255,"formula_full":"Mo16 H64 O80","formula_reduced":"MoH4O5","formula_anonymous":"AB4C5","energy":-1029.8728419,"energy_per_atom":-6.436705261875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-923.6808419,"band_gap":1.751,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004115,"is_theoretical":false,"updated_at":"2021-11-28T01:36:15.903000Z","spacegroup":14},{"id":"mp-1008524","created_at":"2022-09-04T14:43:19.507475Z","structure_string":"Be2 Se2\n1.0\n1.761380 -3.050799 0.000000\n1.761380 3.050799 0.000000\n0.000000 0.000000 5.553161\nBe Se\n2 2\ndirect\n0.000000 0.000000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.333333 0.666667 0.250000 Se\n0.666667 0.333333 0.750000 Se\n","nsites":4,"nelements":2,"elements":["Be","Se"],"chemical_system":"Be-Se","density":4.895392751548033,"density_atomic":0.0670228782900801,"volume":59.681113405600044,"volume_molar":8.985201641051162,"formula_full":"Be2 Se2","formula_reduced":"BeSe","formula_anonymous":"AB","energy":-16.59205782,"energy_per_atom":-4.148014455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.64805782,"band_gap":0.4488000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:08.815000Z","spacegroup":194},{"id":"mp-1346849","created_at":"2022-09-04T14:43:18.269914Z","structure_string":"Zn4 Mo4 O10\n1.0\n3.386140 0.000000 0.000000\n0.000000 5.170076 0.000000\n0.000000 0.000000 14.918994\nZn Mo O\n4 4 10\ndirect\n0.500000 0.985566 0.813828 Zn\n0.500000 0.518654 0.196458 Zn\n0.500000 0.481346 0.696458 Zn\n0.500000 0.014434 0.313828 Zn\n0.000000 0.986814 0.596597 Mo\n0.000000 0.509163 0.407290 Mo\n0.000000 0.013186 0.096597 Mo\n0.000000 0.490837 0.907290 Mo\n0.000000 0.198190 0.498178 O\n0.000000 0.855842 0.337725 O\n0.000000 0.377039 0.148962 O\n0.000000 0.144158 0.837725 O\n0.500000 0.918681 0.173227 O\n0.500000 0.601751 0.827752 O\n0.000000 0.622961 0.648962 O\n0.500000 0.081319 0.673227 O\n0.000000 0.801810 0.998178 O\n0.500000 0.398249 0.327752 O\n","nsites":18,"nelements":3,"elements":["Zn","Mo","O"],"chemical_system":"Mo-O-Zn","density":5.120518668206713,"density_atomic":0.06891775605687801,"volume":261.1808774671153,"volume_molar":8.738155599596004,"formula_full":"Zn4 Mo4 O10","formula_reduced":"Zn2Mo2O5","formula_anonymous":"A2B2C5","energy":-122.98284168,"energy_per_atom":-6.832380093333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.30484168,"band_gap":0.2075999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9468725,"is_theoretical":true,"updated_at":"2021-11-28T01:36:10.719000Z","spacegroup":26},{"id":"mp-540858","created_at":"2022-09-04T14:43:18.278941Z","structure_string":"Cu12 As8 O32\n1.0\n8.829225 0.000000 0.000000\n0.000000 6.371685 0.000000\n0.000000 0.472825 11.524372\nCu As O\n12 8 32\ndirect\n0.837008 0.756190 0.633354 Cu\n0.337008 0.243810 0.866646 Cu\n0.162992 0.243810 0.366646 Cu\n0.662992 0.756190 0.133354 Cu\n0.969800 0.383979 0.875614 Cu\n0.469800 0.616021 0.624386 Cu\n0.030200 0.616021 0.124386 Cu\n0.530200 0.383979 0.375614 Cu\n0.810159 0.091564 0.431113 Cu\n0.310159 0.908436 0.068887 Cu\n0.189841 0.908436 0.568887 Cu\n0.689841 0.091564 0.931113 Cu\n0.885416 0.583722 0.368031 As\n0.385416 0.416278 0.131969 As\n0.114584 0.416278 0.631969 As\n0.614584 0.583722 0.868031 As\n0.937622 0.102164 0.151711 As\n0.437622 0.897836 0.348289 As\n0.062378 0.897836 0.848289 As\n0.562378 0.102164 0.651711 As\n0.757210 0.393828 0.418812 O\n0.257210 0.606172 0.081188 O\n0.242790 0.606172 0.581188 O\n0.742790 0.393828 0.918812 O\n0.755950 0.037445 0.102721 O\n0.255950 0.962555 0.397279 O\n0.244050 0.962555 0.897279 O\n0.744050 0.037445 0.602721 O\n0.869417 0.797623 0.457129 O\n0.369417 0.202377 0.042871 O\n0.130583 0.202377 0.542871 O\n0.630583 0.797623 0.957129 O\n0.070135 0.912645 0.120436 O\n0.570135 0.087355 0.379564 O\n0.929865 0.087355 0.879564 O\n0.429865 0.912645 0.620436 O\n0.845534 0.659109 0.223196 O\n0.345534 0.340891 0.276804 O\n0.154466 0.340891 0.776804 O\n0.654466 0.659109 0.723196 O\n0.002866 0.329105 0.083288 O\n0.502866 0.670895 0.416712 O\n0.997134 0.670895 0.916712 O\n0.497134 0.329105 0.583288 O\n0.073292 0.517905 0.366170 O\n0.573292 0.482095 0.133830 O\n0.926708 0.482095 0.633830 O\n0.426708 0.517905 0.866170 O\n0.947451 0.131989 0.300441 O\n0.447451 0.868011 0.199559 O\n0.052549 0.868011 0.699559 O\n0.552549 0.131989 0.800441 O\n","nsites":52,"nelements":3,"elements":["Cu","As","O"],"chemical_system":"As-Cu-O","density":4.7995736056572325,"density_atomic":0.08020643133060323,"volume":648.3270622733603,"volume_molar":7.508301591398964,"formula_full":"Cu12 As8 O32","formula_reduced":"Cu3(AsO4)2","formula_anonymous":"A2B3C8","energy":-312.69041001,"energy_per_atom":-6.013277115576923,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-290.70641001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0352298,"is_theoretical":false,"updated_at":"2021-11-28T01:36:11.415000Z","spacegroup":14},{"id":"mp-2019","created_at":"2022-09-04T14:43:18.280468Z","structure_string":"La2 Ru4\n1.0\n0.000000 3.863696 3.863696\n3.863696 0.000000 3.863696\n3.863696 3.863696 0.000000\nLa Ru\n2 4\ndirect\n0.500000 0.500000 0.500000 La\n0.750000 0.750000 0.750000 La\n0.125000 0.125000 0.125000 Ru\n0.625000 0.125000 0.125000 Ru\n0.125000 0.625000 0.125000 Ru\n0.125000 0.125000 0.625000 Ru\n","nsites":6,"nelements":2,"elements":["La","Ru"],"chemical_system":"La-Ru","density":9.818667150990734,"density_atomic":0.05201306061560198,"volume":115.35564200581236,"volume_molar":11.578131893652847,"formula_full":"La2 Ru4","formula_reduced":"LaRu2","formula_anonymous":"AB2","energy":-47.76122776,"energy_per_atom":-7.960204626666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.76122776,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000382,"is_theoretical":false,"updated_at":"2021-11-28T01:36:09.058000Z","spacegroup":227},{"id":"mp-1650384","created_at":"2022-09-04T14:43:18.282806Z","structure_string":"Sr8 La2 Mn10 O30\n1.0\n3.859172 -0.000131 3.859220\n-3.857530 -3.933883 7.716932\n-0.005803 -11.784751 -3.853015\nSr La Mn O\n8 2 10 30\ndirect\n0.299597 0.301661 0.900781 Sr\n0.799165 0.801991 0.400295 Sr\n0.700121 0.699106 0.099372 Sr\n0.200681 0.198279 0.599606 Sr\n0.601311 0.598834 0.801493 Sr\n0.100892 0.099017 0.300836 Sr\n0.398962 0.400731 0.198593 Sr\n0.899722 0.900100 0.699471 Sr\n0.999622 0.000760 0.000129 La\n0.500165 0.499533 0.499947 La\n0.749741 0.250923 0.750369 Mn\n0.250768 0.748895 0.250449 Mn\n0.650156 0.149395 0.449704 Mn\n0.349799 0.850703 0.550275 Mn\n0.449654 0.948973 0.848224 Mn\n0.149981 0.650096 0.950072 Mn\n0.849901 0.352142 0.051869 Mn\n0.049732 0.550692 0.650162 Mn\n0.550575 0.049681 0.151024 Mn\n0.949937 0.449493 0.349351 Mn\n0.501944 0.001514 0.005432 O\n0.001481 0.500609 0.503592 O\n0.498961 0.499723 0.999056 O\n0.997914 0.001232 0.499319 O\n0.000521 0.499696 0.999064 O\n0.500269 0.001219 0.499333 O\n0.196456 0.704314 0.097022 O\n0.696322 0.204927 0.597601 O\n0.801140 0.293609 0.896128 O\n0.300797 0.793711 0.395459 O\n0.098884 0.604262 0.801898 O\n0.597718 0.103645 0.299144 O\n0.900837 0.396018 0.197671 O\n0.403542 0.898309 0.705309 O\n0.803961 0.805019 0.904763 O\n0.304488 0.304307 0.403627 O\n0.196143 0.194501 0.095683 O\n0.697913 0.694955 0.596885 O\n0.704849 0.194501 0.095654 O\n0.203915 0.694970 0.596898 O\n0.295968 0.805037 0.904771 O\n0.794868 0.304281 0.403602 O\n0.597695 0.598521 0.302951 O\n0.098509 0.098400 0.804595 O\n0.402014 0.400657 0.696016 O\n0.901415 0.901729 0.196406 O\n0.893143 0.400729 0.696007 O\n0.393077 0.901788 0.196401 O\n0.106889 0.598479 0.303015 O\n0.607882 0.098335 0.804683 O\n","nsites":50,"nelements":4,"elements":["Sr","La","Mn","O"],"chemical_system":"La-Mn-O-Sr","density":5.701994735538412,"density_atomic":0.08549784365185482,"volume":584.8100708083213,"volume_molar":7.043617128546555,"formula_full":"Sr8 La2 Mn10 O30","formula_reduced":"Sr4LaMn5O15","formula_anonymous":"AB4C5D15","energy":-392.39383194,"energy_per_atom":-7.8478766388,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-355.10383194,"band_gap":0.3489,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":31.9984167,"is_theoretical":true,"updated_at":"2021-11-28T01:36:08.768000Z","spacegroup":8},{"id":"mp-1194900","created_at":"2022-09-04T14:43:18.288851Z","structure_string":"K32 Nb4 Sn4 As20\n1.0\n4.759609 15.920823 0.000000\n-4.759609 15.920823 0.000000\n0.000000 1.220861 13.538393\nK Nb Sn As\n32 4 4 20\ndirect\n0.479614 0.815424 0.042670 K\n0.184576 0.520386 0.457330 K\n0.520386 0.184576 0.957330 K\n0.815424 0.479614 0.542670 K\n0.277822 0.191322 0.945365 K\n0.808678 0.722178 0.554635 K\n0.722178 0.808678 0.054635 K\n0.191322 0.277822 0.445365 K\n0.395362 0.731856 0.793189 K\n0.268144 0.604638 0.706811 K\n0.604638 0.268144 0.206811 K\n0.731856 0.395362 0.293189 K\n0.635640 0.715363 0.783378 K\n0.284637 0.364360 0.716622 K\n0.364360 0.284637 0.216622 K\n0.715363 0.635640 0.283378 K\n0.014303 0.063618 0.879943 K\n0.936382 0.985697 0.620057 K\n0.985697 0.936382 0.120057 K\n0.063618 0.014303 0.379943 K\n0.076717 0.153424 0.102522 K\n0.846576 0.923283 0.397478 K\n0.923283 0.846576 0.897478 K\n0.153424 0.076717 0.602522 K\n0.593472 0.365925 0.895177 K\n0.634075 0.406528 0.604823 K\n0.406528 0.634075 0.104823 K\n0.365925 0.593472 0.395177 K\n0.931757 0.620346 0.831523 K\n0.379654 0.068243 0.668477 K\n0.068243 0.379654 0.168477 K\n0.620346 0.931757 0.331523 K\n0.996255 0.316546 0.819437 Nb\n0.683454 0.003745 0.680563 Nb\n0.003745 0.683454 0.180563 Nb\n0.316546 0.996255 0.319437 Nb\n0.714590 0.467027 0.962830 Sn\n0.532973 0.285410 0.537170 Sn\n0.285410 0.532973 0.037170 Sn\n0.467027 0.714590 0.462830 Sn\n0.787446 0.273913 0.076578 As\n0.726087 0.212554 0.423422 As\n0.212554 0.726087 0.923422 As\n0.273913 0.787446 0.576578 As\n0.877906 0.471650 0.973684 As\n0.528350 0.122094 0.526316 As\n0.122094 0.528350 0.026316 As\n0.471650 0.877906 0.473684 As\n0.029400 0.400219 0.685864 As\n0.599781 0.970600 0.814136 As\n0.970600 0.599781 0.314136 As\n0.400219 0.029400 0.185864 As\n0.235623 0.046494 0.852073 As\n0.953506 0.764377 0.647927 As\n0.764377 0.953506 0.147927 As\n0.046494 0.235623 0.352073 As\n0.798302 0.386442 0.766985 As\n0.613558 0.201698 0.733015 As\n0.201698 0.613558 0.233015 As\n0.386442 0.798302 0.266985 As\n","nsites":60,"nelements":4,"elements":["K","Nb","Sn","As"],"chemical_system":"As-K-Nb-Sn","density":2.910315581320832,"density_atomic":0.029242691771936263,"volume":2051.7947002943492,"volume_molar":20.593660826324307,"formula_full":"K32 Nb4 Sn4 As20","formula_reduced":"K8NbSnAs5","formula_anonymous":"ABC5D8","energy":-214.12870191,"energy_per_atom":-3.5688116985,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-214.12870191,"band_gap":1.2448,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001879,"is_theoretical":false,"updated_at":"2021-11-28T01:36:03.770000Z","spacegroup":15}]}