{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=48","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=46","results":[{"id":"mp-996994","created_at":"2022-09-04T14:47:24.123799Z","structure_string":"Fe4 Au4 O8\n1.0\n4.413587 2.651169 -1.477254\n3.194034 -5.317038 -0.000165\n1.596726 -2.658895 -6.459807\nFe Au O\n4 4 8\ndirect\n0.500000 0.749669 0.000001 Fe\n0.000000 0.500331 0.999999 Fe\n0.499999 0.249668 0.999997 Fe\n0.000000 0.000331 0.000001 Fe\n0.000001 0.999905 0.499999 Au\n0.000000 0.499904 0.500001 Au\n0.500000 0.750096 0.499999 Au\n0.499999 0.250095 0.500001 Au\n0.887719 0.831732 0.837303 O\n0.887719 0.331734 0.837303 O\n0.387718 0.580957 0.837303 O\n0.387719 0.080956 0.837302 O\n0.112282 0.169044 0.162698 O\n0.112282 0.669043 0.162697 O\n0.612281 0.918266 0.162698 O\n0.612282 0.418268 0.162697 O\n","nsites":16,"nelements":3,"elements":["Fe","Au","O"],"chemical_system":"Au-Fe-O","density":9.170090115628675,"density_atomic":0.07755837495830026,"volume":206.2962253735009,"volume_molar":7.764655671599413,"formula_full":"Fe4 Au4 O8","formula_reduced":"FeAuO2","formula_anonymous":"ABC2","energy":-105.04443257,"energy_per_atom":-6.565277035625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.52443257,"band_gap":0.4779,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:06.442000Z","spacegroup":166},{"id":"mp-1519555","created_at":"2022-09-04T14:47:24.159451Z","structure_string":"Sr8 Ce4 Zr4 O24\n1.0\n8.533818 0.000000 0.000000\n0.000000 8.533818 0.000000\n0.000000 0.000000 8.533818\nSr Ce Zr O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 -0.000000 0.000000 Sr\n0.000000 -0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 -0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Ce\n0.750000 0.250000 0.250000 Ce\n0.250000 0.750000 0.250000 Ce\n0.250000 0.250000 0.750000 Ce\n0.250000 0.250000 0.250000 Zr\n0.250000 0.750000 0.750000 Zr\n0.750000 0.250000 0.750000 Zr\n0.750000 0.750000 0.250000 Zr\n0.212983 0.294331 0.492568 O\n0.212983 0.705669 0.507432 O\n0.787017 0.294331 0.507432 O\n0.787017 0.705669 0.492568 O\n0.294331 0.492568 0.212983 O\n0.705669 0.507432 0.212983 O\n0.294331 0.507432 0.787017 O\n0.705669 0.492568 0.787017 O\n0.492568 0.212983 0.294331 O\n0.507432 0.212983 0.705669 O\n0.507432 0.787017 0.294331 O\n0.492568 0.787017 0.705669 O\n0.287017 0.205669 0.007432 O\n0.287017 0.794331 0.992568 O\n0.712983 0.205669 0.992568 O\n0.712983 0.794331 0.007432 O\n0.205669 0.007432 0.287017 O\n0.794331 0.992568 0.287017 O\n0.205669 0.992568 0.712983 O\n0.794331 0.007432 0.712983 O\n0.007432 0.287017 0.205669 O\n0.992568 0.287017 0.794331 O\n0.992568 0.712983 0.205669 O\n0.007432 0.712983 0.794331 O\n","nsites":40,"nelements":4,"elements":["Sr","Ce","Zr","O"],"chemical_system":"Ce-O-Sr-Zr","density":5.371320296798783,"density_atomic":0.06436204904477336,"volume":621.4842534328586,"volume_molar":9.35666413574047,"formula_full":"Sr8 Ce4 Zr4 O24","formula_reduced":"Sr2CeZrO6","formula_anonymous":"ABC2D6","energy":-333.9807675100001,"energy_per_atom":-8.349519187750001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-317.49276751,"band_gap":2.3353,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:07.131000Z","spacegroup":201},{"id":"mp-850188","created_at":"2022-09-04T14:48:13.839584Z","structure_string":"Li2 V2 O2 F8\n1.0\n1.810808 -5.107317 0.000000\n1.810808 5.107317 0.000000\n0.000000 0.000000 10.245645\nLi V O F\n2 2 2 8\ndirect\n0.883511 0.116489 0.561089 Li\n0.116489 0.883511 0.061089 Li\n0.809775 0.190225 0.251809 V\n0.190225 0.809775 0.751809 V\n0.699148 0.300852 0.738821 O\n0.300852 0.699148 0.238821 O\n0.677445 0.322555 0.116363 F\n0.692413 0.307587 0.382767 F\n0.944495 0.055505 0.131607 F\n0.935722 0.064278 0.378778 F\n0.064278 0.935722 0.878778 F\n0.055505 0.944495 0.631607 F\n0.307587 0.692413 0.882767 F\n0.322555 0.677445 0.616363 F\n","nsites":14,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":2.6264870063535044,"density_atomic":0.07387432354077325,"volume":189.5110415768886,"volume_molar":8.151872628215967,"formula_full":"Li2 V2 O2 F8","formula_reduced":"LiVOF4","formula_anonymous":"ABCD4","energy":-86.70373569,"energy_per_atom":-6.193123977857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.23373569,"band_gap":2.1572,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:39:57.766000Z","spacegroup":36},{"id":"mp-1233398","created_at":"2022-09-04T14:48:16.819108Z","structure_string":"Mg1 Ag14 Pb6 O18\n1.0\n-3.135623 5.211773 6.540163\n3.134054 5.244633 -6.564209\n-6.053899 0.022686 -6.458718\nMg Ag Pb O\n1 14 6 18\ndirect\n0.829354 0.222079 0.216449 Mg\n0.836937 0.179879 0.654303 Ag\n0.171057 0.337816 0.833598 Ag\n0.691423 0.835242 0.844897 Ag\n0.496904 0.972655 0.523458 Ag\n0.124339 0.917186 0.914007 Ag\n0.271023 0.754615 0.738066 Ag\n0.422735 0.578319 0.600669 Ag\n0.606076 0.427339 0.434970 Ag\n0.422597 0.190038 0.217929 Ag\n0.955927 0.053539 0.045632 Ag\n0.024562 0.516825 0.507031 Ag\n0.840688 0.656833 0.178108 Ag\n0.173395 0.851617 0.322036 Ag\n0.508723 0.507685 0.001536 Ag\n0.515925 0.168642 0.836042 Pb\n0.848652 0.507032 0.837323 Pb\n0.166818 0.174399 0.491785 Pb\n0.843841 0.838586 0.502741 Pb\n0.176141 0.503635 0.167194 Pb\n0.520816 0.836051 0.172201 Pb\n0.800286 0.240538 0.854831 O\n0.583540 0.453954 0.822196 O\n0.885132 0.116614 0.460417 O\n0.219796 0.157856 0.756489 O\n0.873660 0.778354 0.776387 O\n0.499284 0.881970 0.904906 O\n0.118313 0.529477 0.895392 O\n0.415161 0.192522 0.478036 O\n0.833254 0.570820 0.563867 O\n0.590741 0.117228 0.125282 O\n0.198073 0.446480 0.439754 O\n0.893419 0.467018 0.117560 O\n0.574592 0.805094 0.446724 O\n0.074277 0.228423 0.219630 O\n0.791240 0.853897 0.230538 O\n0.445960 0.559181 0.191192 O\n0.112145 0.904513 0.517070 O\n0.245476 0.778056 0.150028 O\n","nsites":39,"nelements":4,"elements":["Mg","Ag","Pb","O"],"chemical_system":"Ag-Mg-O-Pb","density":8.125847438823097,"density_atomic":0.06225320923640554,"volume":626.4737268708211,"volume_molar":9.673622988866356,"formula_full":"Mg1 Ag14 Pb6 O18","formula_reduced":"MgAg14(PbO3)6","formula_anonymous":"AB6C14D18","energy":-187.01107811,"energy_per_atom":-4.795155848974359,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-174.64507811,"band_gap":0.0658000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:48.543000Z","spacegroup":1},{"id":"mp-1251466","created_at":"2022-09-04T14:47:45.822784Z","structure_string":"Na7 Al12 Si12 H6 Cl1 O48\n1.0\n9.363839 -0.012842 -0.064108\n-0.011919 9.184603 -0.258964\n-0.122196 -0.517776 18.339435\nNa Al Si H Cl O\n7 12 12 6 1 48\ndirect\n0.286867 0.775798 0.115295 Na\n0.271068 0.216338 0.884514 Na\n0.221287 0.826530 0.592076 Na\n0.715847 0.225863 0.879748 Na\n0.816337 0.092737 0.444843 Na\n0.751394 0.808912 0.120228 Na\n0.771364 0.821124 0.607377 Na\n0.011022 0.767833 0.253705 Al\n0.014432 0.762092 0.753947 Al\n0.029471 0.238693 0.246536 Al\n0.025984 0.232928 0.740448 Al\n0.266015 0.503208 0.004547 Al\n0.262330 0.516520 0.504377 Al\n0.515501 0.964291 0.369695 Al\n0.514172 0.965759 0.874827 Al\n0.511738 0.032965 0.127390 Al\n0.515236 0.028601 0.625273 Al\n0.762119 0.494812 0.997778 Al\n0.748400 0.481813 0.499817 Al\n0.265482 0.994614 0.245193 Si\n0.268396 0.990135 0.744523 Si\n0.527628 0.747206 0.003549 Si\n0.515166 0.749386 0.501082 Si\n0.504879 0.250756 0.000180 Si\n0.508437 0.258193 0.497561 Si\n0.760398 0.015698 0.259000 Si\n0.763365 0.007205 0.753395 Si\n0.014573 0.531889 0.378475 Si\n0.018453 0.474710 0.120060 Si\n0.017636 0.468293 0.617892 Si\n0.015798 0.530086 0.879295 Si\n0.363135 0.159452 0.407953 H\n0.815251 0.654942 0.415634 H\n0.873210 0.346129 0.324250 H\n0.865459 0.582902 0.198389 H\n0.865876 0.581245 0.697257 H\n0.900875 0.356648 0.819917 H\n0.970295 0.902351 0.514734 Cl\n0.973257 0.379067 0.324382 O\n0.956876 0.619701 0.181893 O\n0.000209 0.385052 0.812284 O\n0.963281 0.605372 0.683718 O\n0.157925 0.541721 0.083661 O\n0.160074 0.534701 0.585071 O\n0.136186 0.488226 0.432547 O\n0.155719 0.492249 0.925543 O\n0.171967 0.136601 0.273069 O\n0.160177 0.852253 0.222939 O\n0.172551 0.136370 0.768075 O\n0.163928 0.848526 0.723021 O\n0.373304 0.951993 0.310296 O\n0.346171 0.019570 0.169346 O\n0.366669 0.966328 0.815588 O\n0.352188 0.016157 0.669265 O\n0.380635 0.371978 0.496537 O\n0.384156 0.648781 0.012970 O\n0.350839 0.334769 0.997722 O\n0.354430 0.681297 0.502833 O\n0.535099 0.185552 0.078404 O\n0.530243 0.177761 0.571237 O\n0.548958 0.820189 0.423705 O\n0.530847 0.812040 0.923950 O\n0.454176 0.128661 0.428803 O\n0.493513 0.128287 0.930895 O\n0.521440 0.871264 0.071339 O\n0.530667 0.871081 0.568025 O\n0.638439 0.355368 0.978222 O\n0.664291 0.317729 0.469857 O\n0.641236 0.630112 0.517663 O\n0.676598 0.659196 0.021648 O\n0.652400 0.007739 0.189709 O\n0.680510 0.024670 0.338340 O\n0.666559 0.019565 0.680607 O\n0.672085 0.001884 0.827531 O\n0.865131 0.157069 0.258100 O\n0.863531 0.155903 0.765730 O\n0.852681 0.863028 0.250295 O\n0.860390 0.860587 0.738491 O\n0.880108 0.452682 0.068873 O\n0.850302 0.554949 0.419856 O\n0.863772 0.501453 0.917032 O\n0.880263 0.457892 0.563973 O\n0.049467 0.344500 0.172798 O\n0.036938 0.321836 0.660514 O\n0.032811 0.668421 0.330606 O\n0.026605 0.675416 0.834979 O\n","nsites":86,"nelements":6,"elements":["Na","Al","Si","H","Cl","O"],"chemical_system":"Al-Cl-H-Na-O-Si","density":1.71879450070957,"density_atomic":0.054571368937114506,"volume":1575.9179524908452,"volume_molar":11.03534853036147,"formula_full":"Na7 Al12 Si12 H6 Cl1 O48","formula_reduced":"Na7Al12Si12H6ClO48","formula_anonymous":"AB6C7D12E12F48","energy":-630.4279692800001,"energy_per_atom":-7.330557782325582,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-596.83796928,"band_gap":3.6197,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:21.630000Z","spacegroup":1},{"id":"mp-18391","created_at":"2022-09-04T14:47:26.967573Z","structure_string":"Sm8 Si8 O28\n1.0\n6.770739 0.000000 0.000000\n0.000000 6.662763 0.000000\n0.000000 4.022947 12.140790\nSm Si O\n8 8 28\ndirect\n0.824657 0.150469 0.153365 Sm\n0.324657 0.849531 0.346635 Sm\n0.175343 0.849531 0.846635 Sm\n0.675343 0.150469 0.653365 Sm\n0.609403 0.471833 0.862085 Sm\n0.109403 0.528167 0.637915 Sm\n0.390597 0.528167 0.137915 Sm\n0.890597 0.471833 0.362085 Sm\n0.920681 0.708868 0.109940 Si\n0.420681 0.291132 0.390060 Si\n0.079319 0.291132 0.890060 Si\n0.579319 0.708868 0.609940 Si\n0.672470 0.896154 0.914578 Si\n0.172470 0.103846 0.585422 Si\n0.327530 0.103846 0.085422 Si\n0.827530 0.896154 0.414578 Si\n0.105670 0.663025 0.040581 O\n0.605670 0.336975 0.459419 O\n0.894330 0.336975 0.959419 O\n0.394330 0.663025 0.540581 O\n0.829441 0.790413 0.850189 O\n0.329441 0.209587 0.649811 O\n0.170559 0.209587 0.149811 O\n0.670559 0.790413 0.350189 O\n0.591441 0.125706 0.840205 O\n0.091441 0.874294 0.659795 O\n0.408559 0.874294 0.159795 O\n0.908559 0.125706 0.340205 O\n0.985555 0.796575 0.210839 O\n0.485555 0.203425 0.289161 O\n0.014445 0.203425 0.789161 O\n0.514445 0.796575 0.710839 O\n0.719841 0.905178 0.530911 O\n0.219841 0.094822 0.969089 O\n0.280159 0.094822 0.469089 O\n0.780159 0.905178 0.030911 O\n0.012563 0.724537 0.450233 O\n0.512563 0.275463 0.049767 O\n0.987437 0.275463 0.549767 O\n0.487437 0.724537 0.950233 O\n0.721731 0.501454 0.667094 O\n0.221731 0.498546 0.832906 O\n0.278269 0.498546 0.332906 O\n0.778269 0.501454 0.167094 O\n","nsites":44,"nelements":3,"elements":["Sm","Si","O"],"chemical_system":"O-Si-Sm","density":5.686430168515022,"density_atomic":0.08033694102584325,"volume":547.6932459482846,"volume_molar":7.496104137276976,"formula_full":"Sm8 Si8 O28","formula_reduced":"Sm2Si2O7","formula_anonymous":"A2B2C7","energy":-378.77804337,"energy_per_atom":-8.608591894772728,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-359.54204337,"band_gap":4.4139,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:38:07.326000Z","spacegroup":14},{"id":"mp-774364","created_at":"2022-09-04T14:47:30.135722Z","structure_string":"Li8 Cr8 P8 O32\n1.0\n5.029368 0.000000 0.000000\n0.000000 8.301335 0.000000\n0.000000 0.000000 16.710323\nLi Cr P O\n8 8 8 32\ndirect\n0.941306 0.030719 0.943533 Li\n0.466504 0.140499 0.363350 Li\n0.966504 0.359501 0.863350 Li\n0.441306 0.469281 0.443533 Li\n0.941306 0.530719 0.556467 Li\n0.466504 0.640499 0.136650 Li\n0.966504 0.859501 0.636650 Li\n0.441306 0.969281 0.056467 Li\n0.523078 0.131186 0.748953 Cr\n0.477472 0.149949 0.552961 Cr\n0.977472 0.350051 0.052961 Cr\n0.023078 0.368814 0.248953 Cr\n0.523078 0.631186 0.751047 Cr\n0.477472 0.649949 0.947039 Cr\n0.977472 0.850051 0.447039 Cr\n0.023078 0.868814 0.251047 Cr\n0.948810 0.228269 0.676843 P\n0.436062 0.240586 0.934471 P\n0.936062 0.259414 0.434471 P\n0.448810 0.271731 0.176843 P\n0.948810 0.728269 0.823157 P\n0.436062 0.740586 0.565529 P\n0.936062 0.759414 0.065529 P\n0.448810 0.771731 0.323157 P\n0.756890 0.086680 0.644705 O\n0.318644 0.082229 0.963785 O\n0.773857 0.113036 0.469174 O\n0.366945 0.112179 0.142556 O\n0.239851 0.175516 0.657499 O\n0.739483 0.256993 0.956519 O\n0.904839 0.216036 0.768918 O\n0.897430 0.241131 0.342718 O\n0.397430 0.258869 0.842718 O\n0.404839 0.283964 0.268918 O\n0.239483 0.243007 0.456519 O\n0.739851 0.324484 0.157499 O\n0.866945 0.387821 0.642556 O\n0.273857 0.386964 0.969174 O\n0.818644 0.417771 0.463785 O\n0.256890 0.413320 0.144705 O\n0.756890 0.586680 0.855295 O\n0.318644 0.582229 0.536215 O\n0.773857 0.613036 0.030826 O\n0.366945 0.612179 0.357444 O\n0.239851 0.675516 0.842501 O\n0.739483 0.756993 0.543481 O\n0.904839 0.716036 0.731082 O\n0.897430 0.741131 0.157282 O\n0.397430 0.758869 0.657282 O\n0.404839 0.783964 0.231082 O\n0.239483 0.743007 0.043481 O\n0.739851 0.824484 0.342501 O\n0.866945 0.887821 0.857444 O\n0.273857 0.886964 0.530826 O\n0.818644 0.917771 0.036215 O\n0.256890 0.913320 0.355295 O\n","nsites":56,"nelements":4,"elements":["Li","Cr","P","O"],"chemical_system":"Cr-Li-O-P","density":2.93059216245873,"density_atomic":0.08026788652468456,"volume":697.6638158122985,"volume_molar":7.50255303925067,"formula_full":"Li8 Cr8 P8 O32","formula_reduced":"LiCrPO4","formula_anonymous":"ABCD4","energy":-434.30011674,"energy_per_atom":-7.7553592275000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-396.32411674,"band_gap":2.5125999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:16.453000Z","spacegroup":33},{"id":"mp-1034502","created_at":"2022-09-04T14:47:23.982354Z","structure_string":"Sr1 Mg14 C1 O16\n1.0\n8.640397 0.000000 0.000000\n0.000000 8.640397 -0.000000\n0.000000 0.000000 4.377955\nSr Mg C O\n1 14 1 16\ndirect\n-0.000000 -0.000000 0.000000 Sr\n-0.000000 0.500000 0.000000 Mg\n0.500000 -0.000000 0.000000 Mg\n-0.000000 0.260005 0.500000 Mg\n-0.000000 0.739995 0.500000 Mg\n0.500000 0.254479 0.500000 Mg\n0.500000 0.745521 0.500000 Mg\n0.260005 -0.000000 0.500000 Mg\n0.254479 0.500000 0.500000 Mg\n0.739995 -0.000000 0.500000 Mg\n0.745521 0.500000 0.500000 Mg\n0.258219 0.258219 0.000000 Mg\n0.258219 0.741781 0.000000 Mg\n0.741781 0.258219 -0.000000 Mg\n0.741781 0.741781 0.000000 Mg\n0.500000 0.500000 0.000000 C\n0.271923 -0.000000 0.000000 O\n0.253278 0.500000 -0.000000 O\n0.728077 -0.000000 0.000000 O\n0.746722 0.500000 0.000000 O\n0.251172 0.251172 0.500000 O\n0.251172 0.748828 0.500000 O\n0.748828 0.251172 0.500000 O\n0.748828 0.748828 0.500000 O\n-0.000000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.271923 0.000000 O\n-0.000000 0.728077 0.000000 O\n0.500000 0.253278 0.000000 O\n0.500000 0.746722 0.000000 O\n","nsites":32,"nelements":4,"elements":["Sr","Mg","C","O"],"chemical_system":"C-Mg-O-Sr","density":3.5355069190872093,"density_atomic":0.09790644694633367,"volume":326.8426237297779,"volume_molar":6.1509133952138715,"formula_full":"Sr1 Mg14 C1 O16","formula_reduced":"SrMg14CO16","formula_anonymous":"ABC14D16","energy":-197.15073697,"energy_per_atom":-6.1609605303125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-186.15873697,"band_gap":3.7394,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:04.729000Z","spacegroup":123},{"id":"mp-1522329","created_at":"2022-09-04T14:47:26.155939Z","structure_string":"Ba1 Sr1 Ce1 Ti1 O6\n1.0\n0.000000 -4.214559 -4.214559\n4.214559 0.000000 -4.214559\n4.214559 -4.214559 0.000000\nBa Sr Ce Ti O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ti\n0.735524 0.264476 0.264476 O\n0.264476 0.735524 0.735524 O\n0.735524 0.264476 0.735524 O\n0.264476 0.735524 0.264476 O\n0.735524 0.735524 0.264476 O\n0.264476 0.264476 0.735524 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Ce","Ti","O"],"chemical_system":"Ba-Ce-O-Sr-Ti","density":5.644398502628408,"density_atomic":0.06679033019334071,"volume":149.722272236903,"volume_molar":9.016485983176699,"formula_full":"Ba1 Sr1 Ce1 Ti1 O6","formula_reduced":"BaSrCeTiO6","formula_anonymous":"ABCDE6","energy":-82.17613749,"energy_per_atom":-8.217613749,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.05413749,"band_gap":2.1429,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:11.817000Z","spacegroup":216},{"id":"mp-1519956","created_at":"2022-09-04T14:47:40.368034Z","structure_string":"Ba2 Sr2 Ca2 W2 O12\n1.0\n5.949786 0.000000 0.000000\n0.000000 5.949786 0.000000\n0.000000 0.000000 8.720229\nBa Sr Ca W O\n2 2 2 2 12\ndirect\n-0.000000 0.500000 0.250000 Ba\n0.500000 -0.000000 0.750000 Ba\n-0.000000 -0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.250000 Ca\n-0.000000 0.500000 0.750000 Ca\n-0.000000 0.000000 0.500000 W\n0.500000 0.500000 -0.000000 W\n-0.000000 0.000000 0.273574 O\n0.500000 0.500000 0.226426 O\n-0.000000 -0.000000 0.726426 O\n0.500000 0.500000 0.773574 O\n0.360679 0.204262 0.021377 O\n0.639321 0.795738 0.021377 O\n0.795738 0.360679 0.978623 O\n0.204262 0.639321 0.978623 O\n0.860679 0.295738 0.521377 O\n0.139321 0.704262 0.521377 O\n0.295738 0.139321 0.478623 O\n0.704262 0.860679 0.478623 O\n","nsites":20,"nelements":5,"elements":["Ba","Sr","Ca","W","O"],"chemical_system":"Ba-Ca-O-Sr-W","density":5.861848018720753,"density_atomic":0.06478872222305107,"volume":308.69570063668016,"volume_molar":9.295044806204546,"formula_full":"Ba2 Sr2 Ca2 W2 O12","formula_reduced":"BaSrCaWO6","formula_anonymous":"ABCDE6","energy":-154.69633654,"energy_per_atom":-7.734816827,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-137.57633654,"band_gap":3.3685,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:20.073000Z","spacegroup":118},{"id":"mp-556413","created_at":"2022-09-04T14:47:29.460530Z","structure_string":"Na8 Cd4 Si6 O20\n1.0\n2.962087 5.020817 0.000000\n-2.962087 5.020817 0.000000\n0.000000 3.060209 17.642685\nNa Cd Si O\n8 4 6 20\ndirect\n0.221083 0.431927 0.243571 Na\n0.431927 0.221083 0.743571 Na\n0.778917 0.568073 0.756429 Na\n0.683426 0.824643 0.939904 Na\n0.568073 0.778917 0.256429 Na\n0.175357 0.316574 0.560096 Na\n0.316574 0.175357 0.060096 Na\n0.824643 0.683426 0.439904 Na\n0.000078 0.803966 0.085169 Cd\n0.803966 0.000078 0.585169 Cd\n0.196034 0.999922 0.414831 Cd\n0.999922 0.196034 0.914831 Cd\n0.881090 0.118910 0.250000 Si\n0.329900 0.540493 0.898318 Si\n0.459507 0.670100 0.601682 Si\n0.670100 0.459507 0.101682 Si\n0.118910 0.881090 0.750000 Si\n0.540493 0.329900 0.398318 Si\n0.205040 0.615476 0.812874 O\n0.083810 0.135202 0.786800 O\n0.613249 0.541107 0.884502 O\n0.541107 0.613249 0.384502 O\n0.770212 0.108288 0.452157 O\n0.749423 0.646036 0.572544 O\n0.135202 0.083810 0.286800 O\n0.384524 0.794960 0.687126 O\n0.615476 0.205040 0.312874 O\n0.108288 0.770212 0.952157 O\n0.353964 0.250577 0.927456 O\n0.794960 0.384524 0.187126 O\n0.916190 0.864798 0.213200 O\n0.250577 0.353964 0.427456 O\n0.891712 0.229788 0.047843 O\n0.646036 0.749423 0.072544 O\n0.229788 0.891712 0.547843 O\n0.864798 0.916190 0.713200 O\n0.386751 0.458893 0.115498 O\n0.458893 0.386751 0.615498 O\n","nsites":38,"nelements":4,"elements":["Na","Cd","Si","O"],"chemical_system":"Cd-Na-O-Si","density":3.550581784089792,"density_atomic":0.07241302969359095,"volume":524.7674370316156,"volume_molar":8.316377294917963,"formula_full":"Na8 Cd4 Si6 O20","formula_reduced":"Na4Cd2Si3O10","formula_anonymous":"A2B3C4D10","energy":-242.27332073,"energy_per_atom":-6.3756137034210525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-228.53332073,"band_gap":2.7505,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:38:14.590000Z","spacegroup":15},{"id":"mp-1035353","created_at":"2022-09-04T14:40:34.964136Z","structure_string":"Li1 Mg14 B1 O15\n1.0\n8.339441 0.000000 0.000000\n0.000000 8.641977 0.000000\n0.000000 0.000000 4.236314\nLi Mg B O\n1 14 1 15\ndirect\n0.001492 -0.000000 0.000000 Li\n0.003354 0.500000 0.000000 Mg\n0.501756 -0.000000 0.000000 Mg\n0.001226 0.244738 0.500000 Mg\n0.001226 0.755262 0.500000 Mg\n0.501628 0.250954 0.500000 Mg\n0.501628 0.749046 0.500000 Mg\n0.245579 -0.000000 0.500000 Mg\n0.265601 0.500000 0.500000 Mg\n0.757147 -0.000000 0.500000 Mg\n0.742507 0.500000 0.500000 Mg\n0.253683 0.237286 -0.000000 Mg\n0.253683 0.762714 -0.000000 Mg\n0.749933 0.236943 -0.000000 Mg\n0.749933 0.763057 0.000000 Mg\n0.516232 0.500000 0.000000 B\n0.253782 -0.000000 0.000000 O\n0.749063 -0.000000 0.000000 O\n0.686701 0.500000 0.000000 O\n0.251436 0.257044 0.500000 O\n0.251436 0.742956 0.500000 O\n0.751576 0.254636 0.500000 O\n0.751576 0.745364 0.500000 O\n0.002033 -0.000000 0.500000 O\n-0.001755 0.500000 0.500000 O\n0.500352 -0.000000 0.500000 O\n0.502119 0.500000 0.500000 O\n0.000943 0.269672 0.000000 O\n0.000943 0.730328 0.000000 O\n0.501593 0.243601 -0.000000 O\n0.501593 0.756399 -0.000000 O\n","nsites":31,"nelements":4,"elements":["Li","Mg","B","O"],"chemical_system":"B-Li-Mg-O","density":3.252531662106757,"density_atomic":0.10153680748952107,"volume":305.3080037325312,"volume_molar":5.930992818167446,"formula_full":"Li1 Mg14 B1 O15","formula_reduced":"LiMg14BO15","formula_anonymous":"ABC14D15","energy":-189.95224747,"energy_per_atom":-6.127491853870968,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-179.64724747,"band_gap":2.7528000000000006,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.468000Z","spacegroup":25}]}