{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=10202","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=10200","results":[{"id":"mp-818272","created_at":"2022-09-04T14:42:19.835575Z","structure_string":"Rb4 Mo6 As8 O44\n1.0\n5.046032 10.766384 0.000000\n-5.046032 10.766384 0.000000\n0.000000 1.262372 9.561941\nRb Mo As O\n4 6 8 44\ndirect\n0.643702 0.107252 0.624423 Rb\n0.892748 0.356298 0.875577 Rb\n0.356298 0.892748 0.375577 Rb\n0.107252 0.643702 0.124423 Rb\n0.665565 0.975756 0.227559 Mo\n0.024244 0.334435 0.272441 Mo\n0.334435 0.024244 0.772441 Mo\n0.975756 0.665565 0.727559 Mo\n0.550889 0.449111 0.250000 Mo\n0.449111 0.550889 0.750000 Mo\n0.319092 0.199108 0.057703 As\n0.800892 0.680908 0.442297 As\n0.680908 0.800892 0.942297 As\n0.199108 0.319092 0.557703 As\n0.525487 0.284125 0.010540 As\n0.715875 0.474513 0.489460 As\n0.474513 0.715875 0.989460 As\n0.284125 0.525487 0.510540 As\n0.243062 0.174414 0.940003 O\n0.825586 0.756938 0.559997 O\n0.756938 0.825586 0.059997 O\n0.174414 0.243062 0.440003 O\n0.179181 0.339399 0.162449 O\n0.660601 0.820819 0.337551 O\n0.820819 0.660601 0.837551 O\n0.339399 0.179181 0.662449 O\n0.456110 0.046288 0.146919 O\n0.953712 0.543890 0.353081 O\n0.543890 0.953712 0.853081 O\n0.046288 0.456110 0.646919 O\n0.385646 0.286269 0.959186 O\n0.713731 0.614354 0.540814 O\n0.614354 0.713731 0.040814 O\n0.286269 0.385646 0.459186 O\n0.663449 0.108424 0.068620 O\n0.891576 0.336551 0.431380 O\n0.336551 0.891576 0.931380 O\n0.108424 0.663449 0.568620 O\n0.581945 0.330033 0.861841 O\n0.669967 0.418055 0.638159 O\n0.418055 0.669967 0.138159 O\n0.330033 0.581945 0.361841 O\n0.443425 0.406910 0.141224 O\n0.593090 0.556575 0.358776 O\n0.556575 0.593090 0.858776 O\n0.406910 0.443425 0.641224 O\n0.554834 0.109444 0.346973 O\n0.890556 0.445166 0.153027 O\n0.445166 0.890556 0.653027 O\n0.109444 0.554834 0.846973 O\n0.841432 0.894537 0.270721 O\n0.105463 0.158568 0.229279 O\n0.158568 0.105463 0.729279 O\n0.894537 0.841432 0.770721 O\n0.693713 0.378803 0.124050 O\n0.621197 0.306287 0.375950 O\n0.306287 0.621197 0.875950 O\n0.378803 0.693713 0.624050 O\n0.966457 0.032513 0.553691 O\n0.967487 0.033543 0.946309 O\n0.033543 0.967487 0.446309 O\n0.032513 0.966457 0.053691 O\n","nsites":62,"nelements":4,"elements":["Rb","Mo","As","O"],"chemical_system":"As-Mo-O-Rb","density":3.549554829397847,"density_atomic":0.05967545902863101,"volume":1038.9530471856735,"volume_molar":10.091486279327498,"formula_full":"Rb4 Mo6 As8 O44","formula_reduced":"Rb2Mo3(As2O11)2","formula_anonymous":"A2B3C4D22","energy":-411.95699201,"energy_per_atom":-6.644467613064516,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-385.66099201,"band_gap":2.0929,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.0010348,"is_theoretical":false,"updated_at":"2021-11-28T01:35:45.677000Z","spacegroup":15},{"id":"mp-1110587","created_at":"2022-09-04T14:44:58.266630Z","structure_string":"Rb2 Mo1 Au1 F6\n1.0\n6.447288 0.000000 0.000000\n3.223644 5.583515 0.000000\n3.223644 1.861172 5.264189\nRb Mo Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Au\n0.227954 0.772046 0.227954 F\n0.772046 0.772046 0.227954 F\n0.772046 0.227954 0.772046 F\n0.772046 0.227954 0.227954 F\n0.227954 0.772046 0.772046 F\n0.227954 0.227954 0.772046 F\n","nsites":10,"nelements":4,"elements":["Rb","Mo","Au","F"],"chemical_system":"Au-F-Mo-Rb","density":5.063314428211255,"density_atomic":0.05276959595572439,"volume":189.50306173256212,"volume_molar":11.412141122044586,"formula_full":"Rb2 Mo1 Au1 F6","formula_reduced":"Rb2MoAuF6","formula_anonymous":"ABC2D6","energy":-51.57815827,"energy_per_atom":-5.157815827,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.60415827,"band_gap":1.5341,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.0002042,"is_theoretical":true,"updated_at":"2021-11-28T01:36:44.175000Z","spacegroup":225},{"id":"mp-1209819","created_at":"2022-09-04T14:45:15.627672Z","structure_string":"Rb10 Mo4 Br18 O2\n1.0\n5.498463 -7.759656 0.000000\n5.498463 7.759656 0.000000\n0.000000 0.000000 14.709620\nRb Mo Br O\n10 4 18 2\ndirect\n0.370909 0.629091 0.757027 Rb\n0.629091 0.370909 0.257027 Rb\n0.935794 0.556447 0.915742 Rb\n0.064206 0.443553 0.415742 Rb\n0.556447 0.935794 0.415742 Rb\n0.443553 0.064206 0.915742 Rb\n0.775567 0.685901 0.616944 Rb\n0.224433 0.314099 0.116944 Rb\n0.685901 0.775567 0.116944 Rb\n0.314099 0.224433 0.616944 Rb\n0.960076 0.039924 0.875165 Mo\n0.039924 0.960076 0.375165 Mo\n0.776075 0.223925 0.652598 Mo\n0.223925 0.776075 0.152598 Mo\n0.821346 0.178654 0.981888 Br\n0.178654 0.821346 0.481888 Br\n0.646642 0.353358 0.768453 Br\n0.353358 0.646642 0.268453 Br\n0.921900 0.078100 0.559097 Br\n0.078100 0.921900 0.059097 Br\n0.683088 0.316912 0.507307 Br\n0.316912 0.683088 0.007307 Br\n0.202302 0.283847 0.872249 Br\n0.797698 0.716153 0.372249 Br\n0.283847 0.202302 0.372249 Br\n0.716153 0.797698 0.872249 Br\n0.019488 0.455668 0.663082 Br\n0.980512 0.544332 0.163082 Br\n0.455668 0.019488 0.163082 Br\n0.544332 0.980512 0.663082 Br\n0.893256 0.106744 0.277500 Br\n0.106744 0.893256 0.777500 Br\n0.466631 0.533369 0.606012 O\n0.533369 0.466631 0.106012 O\n","nsites":34,"nelements":4,"elements":["Rb","Mo","Br","O"],"chemical_system":"Br-Mo-O-Rb","density":3.5834074424596793,"density_atomic":0.027087173670974313,"volume":1255.2066307469072,"volume_molar":22.232444156597705,"formula_full":"Rb10 Mo4 Br18 O2","formula_reduced":"Rb5Mo2Br9O","formula_anonymous":"AB2C5D9","energy":-140.02702548,"energy_per_atom":-4.118441925882353,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-116.23302548,"band_gap":0.6714,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0004387,"is_theoretical":true,"updated_at":"2021-11-28T01:36:59.948000Z","spacegroup":36},{"id":"mp-1202471","created_at":"2022-09-04T14:42:49.087505Z","structure_string":"Rb8 Mo4 C8 O32\n1.0\n13.527747 0.000000 0.000000\n0.000000 7.739852 0.000000\n0.000000 0.910772 9.175463\nRb Mo C O\n8 4 8 32\ndirect\n0.985697 0.774232 0.366307 Rb\n0.485697 0.725768 0.633693 Rb\n0.014303 0.225768 0.633693 Rb\n0.514303 0.274232 0.366307 Rb\n0.863948 0.334747 0.110306 Rb\n0.363948 0.165253 0.889694 Rb\n0.136052 0.665253 0.889694 Rb\n0.636052 0.834747 0.110306 Rb\n0.764437 0.061354 0.460748 Mo\n0.264437 0.438646 0.539252 Mo\n0.235563 0.938646 0.539252 Mo\n0.735563 0.561354 0.460748 Mo\n0.638051 0.034359 0.739569 C\n0.138051 0.465641 0.260431 C\n0.361949 0.965641 0.260431 C\n0.861949 0.534359 0.739569 C\n0.745711 0.066463 0.792975 C\n0.245711 0.433537 0.207025 C\n0.254289 0.933537 0.207025 C\n0.754289 0.566463 0.792975 C\n0.693115 0.087960 0.299597 O\n0.193115 0.412040 0.700403 O\n0.306885 0.912040 0.700403 O\n0.806885 0.587960 0.299597 O\n0.628776 0.034238 0.600187 O\n0.128776 0.465762 0.399813 O\n0.371224 0.965762 0.399813 O\n0.871224 0.534238 0.600187 O\n0.810816 0.082483 0.689610 O\n0.310816 0.417517 0.310390 O\n0.189184 0.917517 0.310390 O\n0.689184 0.582483 0.689610 O\n0.776653 0.825850 0.489184 O\n0.276653 0.674150 0.510816 O\n0.223347 0.174150 0.510816 O\n0.723347 0.325850 0.489184 O\n0.885669 0.122930 0.402920 O\n0.385669 0.377070 0.597080 O\n0.114331 0.877070 0.597080 O\n0.614331 0.622930 0.402920 O\n0.569390 0.006628 0.829186 O\n0.069390 0.493372 0.170814 O\n0.430610 0.993372 0.170814 O\n0.930610 0.506628 0.829186 O\n0.762953 0.072614 0.924650 O\n0.262953 0.427386 0.075350 O\n0.237047 0.927386 0.075350 O\n0.737047 0.572614 0.924650 O\n0.965204 0.947805 0.010536 O\n0.465204 0.552195 0.989464 O\n0.034796 0.052195 0.989464 O\n0.534796 0.447805 0.010536 O\n","nsites":52,"nelements":4,"elements":["Rb","Mo","C","O"],"chemical_system":"C-Mo-O-Rb","density":2.8961779687914886,"density_atomic":0.05412740752902704,"volume":960.6962973815776,"volume_molar":11.125862173928228,"formula_full":"Rb8 Mo4 C8 O32","formula_reduced":"Rb2Mo(CO4)2","formula_anonymous":"AB2C2D8","energy":-363.21704597,"energy_per_atom":-6.984943191730769,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-345.25704597,"band_gap":0.8773,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0070007,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.245000Z","spacegroup":14},{"id":"mp-554787","created_at":"2022-09-04T14:44:58.016367Z","structure_string":"Rb4 Mo4 I4 O24\n1.0\n7.499207 0.000000 0.000000\n0.000000 7.846863 0.000000\n0.000000 0.000000 10.465062\nRb Mo I O\n4 4 4 24\ndirect\n0.862985 0.018479 0.618442 Rb\n0.362985 0.981521 0.381558 Rb\n0.862985 0.518479 0.881558 Rb\n0.362985 0.481521 0.118442 Rb\n0.094545 0.507848 0.528706 Mo\n0.594545 0.492152 0.471294 Mo\n0.094545 0.007848 0.971294 Mo\n0.594545 0.992152 0.028706 Mo\n0.430887 0.278555 0.740912 I\n0.930887 0.221445 0.240912 I\n0.930887 0.721445 0.259088 I\n0.430887 0.778555 0.759088 I\n0.047611 0.278824 0.389808 O\n0.633639 0.362919 0.659490 O\n0.047611 0.778824 0.110192 O\n0.531909 0.131633 0.151334 O\n0.133639 0.137081 0.159490 O\n0.031909 0.868367 0.848666 O\n0.130203 0.701519 0.609060 O\n0.338539 0.437746 0.519365 O\n0.547611 0.721176 0.610192 O\n0.633639 0.862919 0.840510 O\n0.630203 0.798481 0.109060 O\n0.031909 0.368367 0.651334 O\n0.531909 0.631633 0.348666 O\n0.422272 0.571874 0.842875 O\n0.422272 0.071874 0.657125 O\n0.838539 0.562254 0.480635 O\n0.922272 0.428126 0.157125 O\n0.338539 0.937746 0.980635 O\n0.547611 0.221176 0.889808 O\n0.922272 0.928126 0.342875 O\n0.133639 0.637081 0.340510 O\n0.130203 0.201519 0.890940 O\n0.838539 0.062254 0.019365 O\n0.630203 0.298481 0.390940 O\n","nsites":36,"nelements":4,"elements":["Rb","Mo","I","O"],"chemical_system":"I-Mo-O-Rb","density":4.360827681171304,"density_atomic":0.05845871749837586,"volume":615.8191890029092,"volume_molar":10.301527330234897,"formula_full":"Rb4 Mo4 I4 O24","formula_reduced":"RbMoIO6","formula_anonymous":"ABCD6","energy":-231.08101193,"energy_per_atom":-6.418916998055555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-201.78501193,"band_gap":2.6081,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007934,"is_theoretical":false,"updated_at":"2021-11-28T01:36:50.748000Z","spacegroup":33},{"id":"mp-557228","created_at":"2022-09-04T14:40:10.588162Z","structure_string":"Rb2 Mo1 I6 O18\n1.0\n5.189506 -5.879880 0.000000\n5.189506 5.879880 0.000000\n-1.472590 0.000000 7.702950\nRb Mo I O\n2 1 6 18\ndirect\n0.168655 0.168655 0.168655 Rb\n0.831345 0.831345 0.831345 Rb\n0.500000 0.500000 0.500000 Mo\n0.331704 0.704028 0.132411 I\n0.132411 0.331704 0.704028 I\n0.867589 0.668296 0.295972 I\n0.668296 0.295972 0.867589 I\n0.704028 0.132411 0.331704 I\n0.295972 0.867589 0.668296 I\n0.904058 0.286153 0.389514 O\n0.096555 0.690018 0.088904 O\n0.095942 0.713847 0.610486 O\n0.446382 0.695158 0.677948 O\n0.553619 0.304842 0.322052 O\n0.322052 0.553619 0.304842 O\n0.286153 0.389514 0.904058 O\n0.677948 0.446381 0.695158 O\n0.713847 0.610486 0.095942 O\n0.088904 0.096555 0.690018 O\n0.389514 0.904058 0.286153 O\n0.610486 0.095942 0.713847 O\n0.690018 0.088904 0.096555 O\n0.695158 0.677948 0.446381 O\n0.911096 0.903445 0.309982 O\n0.304842 0.322052 0.553619 O\n0.903445 0.309982 0.911096 O\n0.309982 0.911096 0.903445 O\n","nsites":27,"nelements":4,"elements":["Rb","Mo","I","O"],"chemical_system":"I-Mo-O-Rb","density":4.649643525949863,"density_atomic":0.05743573834974126,"volume":470.09058777289374,"volume_molar":10.485006257479634,"formula_full":"Rb2 Mo1 I6 O18","formula_reduced":"Rb2Mo(IO3)6","formula_anonymous":"AB2C6D18","energy":-142.26656859,"energy_per_atom":-5.26913217,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-126.69856859,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0000473,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.291000Z","spacegroup":148},{"id":"mp-1219781","created_at":"2022-09-04T14:46:58.939956Z","structure_string":"Rb4 Mo2 O4 F8\n1.0\n7.267907 3.050626 0.000000\n-7.267907 3.050626 0.000000\n0.000000 0.133319 7.250921\nRb Mo O F\n4 2 4 8\ndirect\n0.555898 0.444102 0.250000 Rb\n0.444102 0.555898 0.750000 Rb\n0.232786 0.767214 0.250000 Rb\n0.767214 0.232786 0.750000 Rb\n0.889996 0.110004 0.250000 Mo\n0.110004 0.889996 0.750000 Mo\n0.099100 0.331708 0.074120 O\n0.331708 0.099100 0.574120 O\n0.900900 0.668292 0.925880 O\n0.668292 0.900900 0.425880 O\n0.752506 0.247494 0.250000 F\n0.247494 0.752506 0.750000 F\n0.023761 0.976239 0.250000 F\n0.976239 0.023761 0.750000 F\n0.344768 0.114859 0.940133 F\n0.114859 0.344768 0.440133 F\n0.655232 0.885141 0.059867 F\n0.885141 0.655232 0.559867 F\n","nsites":18,"nelements":4,"elements":["Rb","Mo","O","F"],"chemical_system":"F-Mo-O-Rb","density":3.872005621861214,"density_atomic":0.05598233479838779,"volume":321.5299980757211,"volume_molar":10.757216149858454,"formula_full":"Rb4 Mo2 O4 F8","formula_reduced":"Rb2Mo(OF2)2","formula_anonymous":"AB2C2D4","energy":-107.01203725,"energy_per_atom":-5.9451131805555555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-94.16403725,"band_gap":2.28,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012932,"is_theoretical":true,"updated_at":"2021-11-28T01:37:46.771000Z","spacegroup":15},{"id":"mp-1209460","created_at":"2022-09-04T14:41:21.276333Z","structure_string":"Rb4 Mo2 O4 F8\n1.0\n3.036610 -7.221490 0.000000\n3.036610 7.221490 0.000000\n0.000000 0.000000 7.195051\nRb Mo O F\n4 2 4 8\ndirect\n0.772101 0.227899 0.495919 Rb\n0.227899 0.772101 0.995919 Rb\n0.548625 0.451375 0.007685 Rb\n0.451375 0.548625 0.507685 Rb\n0.885664 0.114336 0.983509 Mo\n0.114336 0.885664 0.483509 Mo\n0.896255 0.654903 0.330751 O\n0.103745 0.345097 0.830751 O\n0.654903 0.896255 0.830751 O\n0.345097 0.103745 0.330751 O\n0.749916 0.250084 0.034170 F\n0.250084 0.749916 0.534170 F\n0.108249 0.336858 0.204544 F\n0.891751 0.663142 0.704544 F\n0.336858 0.108249 0.704544 F\n0.663142 0.891751 0.204544 F\n0.980711 0.019289 0.514128 F\n0.019289 0.980711 0.014128 F\n","nsites":18,"nelements":4,"elements":["Rb","Mo","O","F"],"chemical_system":"F-Mo-O-Rb","density":3.9452794714408475,"density_atomic":0.057041744721755085,"volume":315.5583702392434,"volume_molar":10.557427353205103,"formula_full":"Rb4 Mo2 O4 F8","formula_reduced":"Rb2Mo(OF2)2","formula_anonymous":"AB2C2D4","energy":-109.17086511,"energy_per_atom":-6.065048061666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.32286511,"band_gap":3.6147,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000679,"is_theoretical":true,"updated_at":"2021-11-28T01:35:19.249000Z","spacegroup":36},{"id":"mp-1209465","created_at":"2022-09-04T14:42:59.484090Z","structure_string":"Rb4 Mo2 O4 F8\n1.0\n3.081619 -7.339765 0.000000\n3.081619 7.339765 0.000000\n0.000000 0.000000 7.204466\nRb Mo O F\n4 2 4 8\ndirect\n0.441327 0.552609 0.250000 Rb\n0.552609 0.441327 0.750000 Rb\n0.751177 0.220755 0.250000 Rb\n0.220755 0.751177 0.750000 Rb\n0.115710 0.888960 0.250000 Mo\n0.888960 0.115710 0.750000 Mo\n0.067127 0.301303 0.937698 O\n0.301303 0.067127 0.062302 O\n0.301303 0.067127 0.437698 O\n0.067127 0.301303 0.562302 O\n0.939718 0.974070 0.250000 F\n0.974070 0.939718 0.750000 F\n0.857684 0.617143 0.070797 F\n0.617143 0.857684 0.929203 F\n0.617143 0.857684 0.570797 F\n0.857684 0.617143 0.429203 F\n0.211461 0.714698 0.250000 F\n0.714698 0.211461 0.750000 F\n","nsites":18,"nelements":4,"elements":["Rb","Mo","O","F"],"chemical_system":"F-Mo-O-Rb","density":3.8200107670500594,"density_atomic":0.055230581403868585,"volume":325.9064008103888,"volume_molar":10.90363455702855,"formula_full":"Rb4 Mo2 O4 F8","formula_reduced":"Rb2Mo(OF2)2","formula_anonymous":"AB2C2D4","energy":-109.21332966,"energy_per_atom":-6.0674072033333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.36532966,"band_gap":3.4841,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010022,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.320000Z","spacegroup":40},{"id":"mp-1209419","created_at":"2022-09-04T14:43:23.621407Z","structure_string":"Rb4 Mo2 O8 F4\n1.0\n3.144352 -7.293630 0.000000\n3.144352 7.293630 0.000000\n0.000000 0.000000 7.127566\nRb Mo O F\n4 2 8 4\ndirect\n0.945876 0.054124 0.250000 Rb\n0.054124 0.945876 0.750000 Rb\n0.267383 0.732617 0.250000 Rb\n0.732617 0.267383 0.750000 Rb\n0.609065 0.390935 0.250000 Mo\n0.390935 0.609065 0.750000 Mo\n0.843044 0.615103 0.078962 O\n0.156956 0.384897 0.921038 O\n0.156956 0.384897 0.578962 O\n0.384897 0.156956 0.421038 O\n0.843044 0.615103 0.421038 O\n0.615103 0.843044 0.578962 O\n0.615103 0.843044 0.921038 O\n0.384897 0.156956 0.078962 O\n0.473886 0.526114 0.250000 F\n0.526114 0.473886 0.750000 F\n0.748350 0.251650 0.250000 F\n0.251650 0.748350 0.750000 F\n","nsites":18,"nelements":4,"elements":["Rb","Mo","O","F"],"chemical_system":"F-Mo-O-Rb","density":3.747195114432039,"density_atomic":0.055058753613758664,"volume":326.923492062159,"volume_molar":10.93766270527258,"formula_full":"Rb4 Mo2 O8 F4","formula_reduced":"Rb2Mo(O2F)2","formula_anonymous":"AB2C2D4","energy":-107.96892844,"energy_per_atom":-5.998273802222222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-94.22092844,"band_gap":0.6217,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0011569,"is_theoretical":true,"updated_at":"2021-11-28T01:36:11.718000Z","spacegroup":63},{"id":"mp-1222256","created_at":"2022-09-04T14:42:12.139567Z","structure_string":"Rb30 Mo18 O18 F84\n1.0\n0.000019 0.000007 -8.314811\n-10.404470 -18.021223 0.000039\n-10.404431 18.021200 0.000008\nRb Mo O F\n30 18 18 84\ndirect\n0.999998 0.999998 0.657008 Rb\n0.000007 0.342994 0.342996 Rb\n0.999997 0.657004 0.999995 Rb\n0.000002 0.000002 0.342992 Rb\n0.999993 0.657006 0.657004 Rb\n0.000003 0.342996 0.000005 Rb\n0.499995 0.000003 0.675036 Rb\n0.500004 0.324969 0.324971 Rb\n0.499991 0.675026 0.999991 Rb\n0.500005 0.999997 0.324964 Rb\n0.499996 0.675031 0.675029 Rb\n0.500009 0.324974 0.000009 Rb\n0.736291 0.092170 0.907829 Rb\n0.736289 0.092175 0.184351 Rb\n0.736291 0.815649 0.907829 Rb\n0.263709 0.907830 0.092171 Rb\n0.263711 0.907825 0.815649 Rb\n0.263709 0.184351 0.092171 Rb\n0.794953 0.741929 0.483879 Rb\n0.794977 0.516122 0.258061 Rb\n0.794952 0.741933 0.258050 Rb\n0.205047 0.258071 0.516121 Rb\n0.205023 0.483878 0.741939 Rb\n0.205048 0.258067 0.741950 Rb\n0.250138 0.852173 0.426086 Rb\n0.250123 0.573916 0.426075 Rb\n0.250105 0.573920 0.147843 Rb\n0.749862 0.147827 0.573914 Rb\n0.749877 0.426084 0.573925 Rb\n0.749895 0.426080 0.852157 Rb\n0.789606 0.536768 0.463227 Mo\n0.789615 0.536769 0.073541 Mo\n0.789619 0.926453 0.463227 Mo\n0.210394 0.463232 0.536773 Mo\n0.210385 0.463231 0.926459 Mo\n0.210381 0.073547 0.536773 Mo\n0.748672 0.861637 0.723263 Mo\n0.748667 0.276735 0.138376 Mo\n0.748675 0.861625 0.138363 Mo\n0.251328 0.138363 0.276737 Mo\n0.251333 0.723265 0.861624 Mo\n0.251325 0.138375 0.861637 Mo\n0.307802 0.795727 0.591460 Mo\n0.307805 0.408537 0.204271 Mo\n0.307803 0.795728 0.204268 Mo\n0.692198 0.204273 0.408540 Mo\n0.692195 0.591463 0.795729 Mo\n0.692197 0.204272 0.795732 Mo\n0.149862 0.764924 0.529840 O\n0.149857 0.470155 0.235081 O\n0.149860 0.764921 0.235078 O\n0.850138 0.235076 0.470160 O\n0.850143 0.529845 0.764919 O\n0.850140 0.235079 0.764922 O\n0.934525 0.882458 0.764883 O\n0.934526 0.235109 0.117569 O\n0.934529 0.882427 0.117545 O\n0.065475 0.117542 0.235117 O\n0.065474 0.764891 0.882431 O\n0.065471 0.117573 0.882455 O\n0.631961 0.567410 0.432587 O\n0.631954 0.567414 0.134826 O\n0.631960 0.865170 0.432584 O\n0.368039 0.432590 0.567413 O\n0.368046 0.432586 0.865174 O\n0.368040 0.134830 0.567416 O\n0.231350 0.763742 0.662407 F\n0.231363 0.337585 0.101337 F\n0.231361 0.898661 0.236248 F\n0.231369 0.763747 0.101334 F\n0.231373 0.898661 0.662414 F\n0.231366 0.337585 0.236253 F\n0.768650 0.236258 0.337593 F\n0.768637 0.662415 0.898663 F\n0.768639 0.101339 0.763752 F\n0.768631 0.236253 0.898666 F\n0.768627 0.101339 0.337586 F\n0.768634 0.662415 0.763747 F\n0.929179 0.495724 0.373479 F\n0.929172 0.626522 0.122249 F\n0.929177 0.877742 0.504266 F\n0.929181 0.495731 0.122251 F\n0.929181 0.877745 0.373478 F\n0.929176 0.626518 0.504268 F\n0.070821 0.504276 0.626521 F\n0.070828 0.373478 0.877751 F\n0.070823 0.122258 0.495734 F\n0.070819 0.504269 0.877749 F\n0.070819 0.122255 0.626522 F\n0.070824 0.373482 0.495732 F\n0.507165 0.835286 0.670592 F\n0.507167 0.329405 0.164701 F\n0.507173 0.835301 0.164712 F\n0.492835 0.164714 0.329408 F\n0.492833 0.670595 0.835299 F\n0.492827 0.164699 0.835288 F\n0.719280 0.434108 0.434120 F\n0.719279 0.565877 -0.000009 F\n0.719282 0.000003 0.565888 F\n0.719283 0.434109 -0.000008 F\n0.719285 0.000004 0.434118 F\n0.719277 0.565880 0.565889 F\n0.280720 0.565892 0.565880 F\n0.280721 0.434123 0.000009 F\n0.280718 -0.000003 0.434112 F\n0.280717 0.565891 0.000008 F\n0.280715 -0.000004 0.565882 F\n0.280723 0.434120 0.434111 F\n0.783414 0.756016 0.646896 F\n0.783422 0.353100 0.109125 F\n0.783422 0.890880 0.243983 F\n0.783386 0.756002 0.109106 F\n0.783381 0.890891 0.646896 F\n0.783383 0.353095 0.244001 F\n0.216586 0.243984 0.353104 F\n0.216578 0.646900 0.890875 F\n0.216578 0.109120 0.756017 F\n0.216614 0.243998 0.890894 F\n0.216619 0.109109 0.353104 F\n0.216617 0.646905 0.755999 F\n0.000000 0.500000 0.500000 F\n0.000000 0.500000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.000000 0.000000 0.000000 F\n0.439747 0.703899 0.541716 F\n0.439748 0.458281 0.162187 F\n0.439749 0.837816 0.296097 F\n0.439752 0.703901 0.162181 F\n0.439758 0.837812 0.541721 F\n0.439750 0.458280 0.296099 F\n0.560253 0.296101 0.458284 F\n0.560252 0.541719 0.837813 F\n0.560251 0.162184 0.703903 F\n0.560248 0.296099 0.837819 F\n0.560242 0.162188 0.458279 F\n0.560250 0.541720 0.703901 F\n0.641606 0.826592 0.785389 F\n0.641598 0.214613 0.041205 F\n0.641609 0.958797 0.173414 F\n0.641559 0.826584 0.041203 F\n0.641555 0.958798 0.785381 F\n0.641558 0.214613 0.173416 F\n0.358394 0.173408 0.214611 F\n0.358402 0.785387 0.958795 F\n0.358391 0.041203 0.826586 F\n0.358441 0.173416 0.958797 F\n0.358445 0.041202 0.214619 F\n0.358442 0.785387 0.826584 F\n0.875352 0.666620 0.333307 F\n0.124648 0.333380 0.666693 F\n","nsites":150,"nelements":4,"elements":["Rb","Mo","O","F"],"chemical_system":"F-Mo-O-Rb","density":3.2884187907831555,"density_atomic":0.048106720277791434,"volume":3118.067478594,"volume_molar":12.518294170180903,"formula_full":"Rb30 Mo18 O18 F84","formula_reduced":"Rb5Mo3O3F14","formula_anonymous":"A3B3C5D14","energy":-898.38663151,"energy_per_atom":-5.9892442100666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-789.5766315099999,"band_gap":1.1774,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":17.9999997,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.139000Z","spacegroup":164},{"id":"mp-1219951","created_at":"2022-09-04T14:39:39.357871Z","structure_string":"Rb8 Mo8 P8 O44\n1.0\n10.390715 0.000000 0.000000\n0.000000 10.156895 0.000000\n0.000000 1.366171 10.086941\nRb Mo P O\n8 8 8 44\ndirect\n0.188741 0.236790 0.034445 Rb\n0.688741 0.763210 0.965555 Rb\n0.815189 0.760889 0.456203 Rb\n0.315189 0.239111 0.543797 Rb\n0.999902 0.999788 0.749938 Rb\n0.499902 0.000212 0.250062 Rb\n0.066722 0.492236 0.254758 Rb\n0.566722 0.507764 0.745242 Rb\n0.084885 0.652853 0.886048 Mo\n0.584885 0.347147 0.113952 Mo\n0.915569 0.346971 0.612653 Mo\n0.415569 0.653029 0.387347 Mo\n0.323102 0.920406 0.898919 Mo\n0.823102 0.079594 0.101081 Mo\n0.677225 0.078994 0.600845 Mo\n0.177225 0.921006 0.399155 Mo\n0.374031 0.603932 0.067356 P\n0.874031 0.396068 0.932644 P\n0.625950 0.395722 0.431790 P\n0.125950 0.604278 0.568210 P\n0.075794 0.874768 0.103751 P\n0.575794 0.125232 0.896249 P\n0.924447 0.125497 0.396073 P\n0.424447 0.874503 0.603927 P\n0.147964 0.573771 0.720416 O\n0.647964 0.426229 0.279584 O\n0.851570 0.426397 0.779381 O\n0.351570 0.573603 0.220619 O\n0.404317 0.752679 0.022789 O\n0.904317 0.247321 0.977211 O\n0.595666 0.246956 0.476976 O\n0.095666 0.753044 0.523024 O\n0.996435 0.472577 0.971023 O\n0.496435 0.527423 0.028977 O\n0.003284 0.527537 0.529319 O\n0.503284 0.472463 0.470681 O\n0.213346 0.929159 0.068492 O\n0.713346 0.070841 0.931508 O\n0.786889 0.071448 0.431290 O\n0.286889 0.928552 0.568710 O\n0.252733 0.556253 0.998641 O\n0.752733 0.443747 0.001359 O\n0.744101 0.443613 0.505905 O\n0.244101 0.556387 0.494095 O\n0.053579 0.732862 0.066755 O\n0.553579 0.267138 0.933245 O\n0.947501 0.267526 0.433008 O\n0.447501 0.732474 0.566992 O\n0.479288 0.025002 0.972279 O\n0.979288 0.974998 0.027721 O\n0.520571 0.975127 0.527763 O\n0.020571 0.024873 0.472237 O\n0.446643 0.866922 0.755355 O\n0.946643 0.133078 0.244645 O\n0.553947 0.133174 0.744625 O\n0.053947 0.866826 0.255375 O\n0.199584 0.800055 0.836684 O\n0.699584 0.199945 0.163316 O\n0.800271 0.200056 0.662941 O\n0.300271 0.799944 0.337059 O\n0.264029 0.072023 0.820440 O\n0.764029 0.927977 0.179560 O\n0.735775 0.927204 0.679315 O\n0.235775 0.072796 0.320685 O\n0.938817 0.713802 0.820700 O\n0.438817 0.286198 0.179300 O\n0.060629 0.285778 0.680021 O\n0.560629 0.714222 0.319979 O\n","nsites":68,"nelements":4,"elements":["Rb","Mo","P","O"],"chemical_system":"Mo-O-P-Rb","density":3.7483635682591476,"density_atomic":0.06387678306823105,"volume":1064.549539499581,"volume_molar":9.42774584244067,"formula_full":"Rb8 Mo8 P8 O44","formula_reduced":"Rb2Mo2P2O11","formula_anonymous":"A2B2C2D11","energy":-521.61718523,"energy_per_atom":-7.670840959264706,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-465.7731852300001,"band_gap":2.4189,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.61e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:23.716000Z","spacegroup":4}]}