{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=10193","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=10191","results":[{"id":"mp-776058","created_at":"2022-09-04T14:44:20.754391Z","structure_string":"Cr2 Fe3 Co1 P6 O24\n1.0\n7.180000 -4.287197 0.000000\n7.180000 4.287197 0.000000\n4.620104 0.000000 6.970445\nCr Fe Co P O\n2 3 1 6 24\ndirect\n0.000106 0.000106 0.000106 Cr\n0.499410 0.499410 0.499410 Cr\n0.145055 0.145055 0.145055 Fe\n0.353402 0.353402 0.353402 Fe\n0.646367 0.646367 0.646367 Fe\n0.859661 0.859661 0.859661 Co\n0.750075 0.045152 0.459954 P\n0.045152 0.459954 0.750075 P\n0.459954 0.750075 0.045152 P\n0.548950 0.246268 0.949638 P\n0.949638 0.548950 0.246268 P\n0.246268 0.949638 0.548950 P\n0.315454 0.106538 0.511461 O\n0.511461 0.315454 0.106538 O\n0.906635 0.057325 0.254020 O\n0.106538 0.511461 0.315454 O\n0.816623 0.008486 0.617756 O\n0.594804 0.251208 0.438737 O\n0.057325 0.254020 0.906635 O\n0.251208 0.438737 0.594804 O\n0.393425 0.173967 0.992662 O\n0.438737 0.594804 0.251208 O\n0.753388 0.086972 0.937303 O\n0.992662 0.393425 0.173967 O\n0.008486 0.617756 0.816623 O\n0.254020 0.906635 0.057325 O\n0.565227 0.402305 0.746721 O\n0.617756 0.816623 0.008486 O\n0.746721 0.565227 0.402305 O\n0.937303 0.753388 0.086972 O\n0.402305 0.746721 0.565227 O\n0.173967 0.992662 0.393425 O\n0.894286 0.497503 0.673156 O\n0.086972 0.937303 0.753388 O\n0.497503 0.673156 0.894286 O\n0.673156 0.894286 0.497503 O\n","nsites":36,"nelements":5,"elements":["Cr","Fe","Co","P","O"],"chemical_system":"Co-Cr-Fe-O-P","density":3.4837136292885993,"density_atomic":0.08389075750784603,"volume":429.12951401866934,"volume_molar":7.178550938030056,"formula_full":"Cr2 Fe3 Co1 P6 O24","formula_reduced":"Cr2Fe3Co(PO4)6","formula_anonymous":"AB2C3D6E24","energy":-286.66570396,"energy_per_atom":-7.962936221111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-257.77370396,"band_gap":1.3861,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.9941093,"is_theoretical":true,"updated_at":"2021-11-28T01:36:35.131000Z","spacegroup":146},{"id":"mp-1021368","created_at":"2022-09-04T14:44:20.812300Z","structure_string":"Mg12 Ti2 Si2\n1.0\n4.783679 0.000000 0.000000\n0.000000 6.290403 0.000000\n0.000000 0.000000 10.710808\nMg Ti Si\n12 2 2\ndirect\n0.000000 0.253263 0.083344 Mg\n0.000000 0.746737 0.083344 Mg\n0.000000 0.500000 0.833342 Mg\n0.500000 0.246723 0.913238 Mg\n0.500000 0.753277 0.913238 Mg\n0.500000 0.500000 0.667297 Mg\n0.000000 0.753263 0.583344 Mg\n0.000000 0.246737 0.583344 Mg\n0.000000 0.000000 0.333342 Mg\n0.500000 0.746723 0.413238 Mg\n0.500000 0.253277 0.413238 Mg\n0.500000 0.000000 0.167297 Mg\n0.000000 0.500000 0.321518 Ti\n0.000000 0.000000 0.821518 Ti\n0.500000 0.500000 0.184678 Si\n0.500000 0.000000 0.684678 Si\n","nsites":16,"nelements":3,"elements":["Mg","Ti","Si"],"chemical_system":"Mg-Si-Ti","density":2.2853021819892976,"density_atomic":0.04964291203798563,"volume":322.3018018716783,"volume_molar":12.13091761295549,"formula_full":"Mg12 Ti2 Si2","formula_reduced":"Mg6TiSi","formula_anonymous":"ABC6","energy":-44.50882922,"energy_per_atom":-2.78180182625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.65082922,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.7001539,"is_theoretical":true,"updated_at":"2021-11-28T01:36:25.622000Z","spacegroup":38},{"id":"mp-1103973","created_at":"2022-09-04T14:44:20.816798Z","structure_string":"Cr4 Cu2 O8\n1.0\n-3.033929 -3.033929 4.087913\n-3.033965 3.033958 -4.087918\n3.033958 -3.033961 -4.087915\nCr Cu O\n4 2 8\ndirect\n0.250005 0.875002 0.624995 Cr\n0.749993 0.374991 0.624996 Cr\n0.749996 0.375004 0.124999 Cr\n0.250005 0.375004 0.625008 Cr\n0.500000 0.749998 0.250002 Cu\n0.000001 0.000002 0.999999 Cu\n0.219394 0.598919 0.379525 O\n0.780606 0.160130 0.379524 O\n0.719412 0.589897 0.870487 O\n0.280589 0.151075 0.870486 O\n0.780606 0.620475 0.401081 O\n0.219395 0.620476 0.839870 O\n0.280588 0.129513 0.410102 O\n0.719411 0.129514 0.848925 O\n","nsites":14,"nelements":3,"elements":["Cr","Cu","O"],"chemical_system":"Cr-Cu-O","density":5.108807551994644,"density_atomic":0.09301443121602092,"volume":150.51427845089722,"volume_molar":6.474415508722414,"formula_full":"Cr4 Cu2 O8","formula_reduced":"Cr2CuO4","formula_anonymous":"AB2C4","energy":-113.50347568,"energy_per_atom":-8.107391119999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-100.01147568,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0008031,"is_theoretical":false,"updated_at":"2021-11-28T01:36:35.222000Z","spacegroup":141},{"id":"mp-758809","created_at":"2022-09-04T14:44:20.826577Z","structure_string":"Li5 Mn6 O16\n1.0\n0.000825 3.038742 -4.960731\n-1.674792 2.532340 4.959865\n10.301499 0.066151 0.038725\nLi Mn O\n5 6 16\ndirect\n0.687455 0.376188 0.063955 Li\n0.809618 0.619465 0.429244 Li\n0.500014 0.999878 0.499854 Li\n0.190334 0.380438 0.570550 Li\n0.312440 0.624693 0.936658 Li\n0.250231 0.499925 0.249774 Mn\n0.750035 0.999689 0.249749 Mn\n0.249979 0.999873 0.249768 Mn\n0.750006 0.000062 0.750182 Mn\n0.249971 0.999964 0.750224 Mn\n0.750037 0.499951 0.750150 Mn\n0.893824 0.787415 0.149400 O\n0.381248 0.762231 0.143217 O\n0.893771 0.256013 0.149529 O\n0.362115 0.255804 0.149450 O\n0.603939 0.750607 0.354583 O\n0.146438 0.750444 0.354443 O\n0.118915 0.237749 0.356690 O\n0.603947 0.208027 0.354503 O\n0.395980 0.791878 0.645407 O\n0.881077 0.762141 0.643272 O\n0.853626 0.249558 0.645471 O\n0.396009 0.249547 0.645520 O\n0.637813 0.744125 0.850553 O\n0.106174 0.744003 0.850514 O\n0.618794 0.237698 0.856766 O\n0.106210 0.212628 0.850575 O\n","nsites":27,"nelements":3,"elements":["Li","Mn","O"],"chemical_system":"Li-Mn-O","density":3.6089910434618724,"density_atomic":0.0945980355652188,"volume":285.41818906361294,"volume_molar":6.366031518538407,"formula_full":"Li5 Mn6 O16","formula_reduced":"Li5Mn6O16","formula_anonymous":"A5B6C16","energy":-193.94965957,"energy_per_atom":-7.1833207248148145,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-172.94965957,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.998775,"is_theoretical":true,"updated_at":"2021-11-28T01:36:25.803000Z","spacegroup":166},{"id":"mp-865382","created_at":"2022-09-04T14:44:21.169813Z","structure_string":"V3 Ru1\n1.0\n0.000000 2.993573 2.993573\n2.993573 0.000000 2.993573\n2.993573 2.993573 0.000000\nV Ru\n3 1\ndirect\n0.250000 0.250000 0.250000 V\n0.750000 0.750000 0.750000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Ru\n","nsites":4,"nelements":2,"elements":["V","Ru"],"chemical_system":"Ru-V","density":7.857833738329233,"density_atomic":0.07455219527362549,"volume":53.65368498297045,"volume_molar":8.077751081503656,"formula_full":"V3 Ru1","formula_reduced":"V3Ru","formula_anonymous":"AB3","energy":-37.64348523,"energy_per_atom":-9.4108713075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.64348523,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0038569,"is_theoretical":true,"updated_at":"2021-11-28T01:36:37.583000Z","spacegroup":225},{"id":"mp-1187837","created_at":"2022-09-04T14:44:47.232887Z","structure_string":"Yb2 Ce6\n1.0\n3.564758 -6.174342 0.000000\n3.564758 6.174342 0.000000\n0.000000 0.000000 5.660503\nYb Ce\n2 6\ndirect\n0.333333 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n0.159658 0.319317 0.250000 Ce\n0.680683 0.840342 0.250000 Ce\n0.159658 0.840342 0.250000 Ce\n0.840342 0.680683 0.750000 Ce\n0.319317 0.159658 0.750000 Ce\n0.840342 0.159658 0.750000 Ce\n","nsites":8,"nelements":2,"elements":["Yb","Ce"],"chemical_system":"Ce-Yb","density":7.908827405401269,"density_atomic":0.032105854448240455,"volume":249.17573873940103,"volume_molar":18.757142158320725,"formula_full":"Yb2 Ce6","formula_reduced":"YbCe3","formula_anonymous":"AB3","energy":-36.78451276,"energy_per_atom":-4.598064095,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.78451276,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.2794548,"is_theoretical":true,"updated_at":"2021-11-28T01:36:44.541000Z","spacegroup":194},{"id":"mp-727406","created_at":"2022-09-04T14:44:20.776295Z","structure_string":"Ta12 Cl36\n1.0\n0.000000 10.048551 10.048551\n10.048551 0.000000 10.048551\n10.048551 10.048551 0.000000\nTa Cl\n12 36\ndirect\n0.608840 0.608840 0.391160 Ta\n0.391160 0.391160 0.608840 Ta\n0.608840 0.391160 0.608840 Ta\n0.391160 0.608840 0.391160 Ta\n0.391160 0.608840 0.608840 Ta\n0.608840 0.391160 0.391160 Ta\n0.641160 0.641160 0.858840 Ta\n0.858840 0.858840 0.641160 Ta\n0.641160 0.858840 0.641160 Ta\n0.858840 0.641160 0.858840 Ta\n0.858840 0.641160 0.641160 Ta\n0.641160 0.858840 0.858840 Ta\n0.728150 0.728150 0.271850 Cl\n0.271850 0.271850 0.728150 Cl\n0.728150 0.271850 0.728150 Cl\n0.271850 0.728150 0.271850 Cl\n0.271850 0.728150 0.728150 Cl\n0.728150 0.271850 0.271850 Cl\n0.521850 0.521850 0.978150 Cl\n0.978150 0.978150 0.521850 Cl\n0.521850 0.978150 0.521850 Cl\n0.978150 0.521850 0.978150 Cl\n0.978150 0.521850 0.521850 Cl\n0.521850 0.978150 0.978150 Cl\n0.742342 0.258613 0.499523 Cl\n0.258613 0.742342 0.499523 Cl\n0.499523 0.499523 0.742342 Cl\n0.499523 0.499523 0.258613 Cl\n0.258613 0.499523 0.742342 Cl\n0.742342 0.499523 0.258613 Cl\n0.499523 0.742342 0.499523 Cl\n0.499523 0.258613 0.499523 Cl\n0.499523 0.742342 0.258613 Cl\n0.499523 0.258613 0.742342 Cl\n0.742342 0.499523 0.499523 Cl\n0.258613 0.499523 0.499523 Cl\n0.507658 0.991387 0.750477 Cl\n0.991387 0.507658 0.750477 Cl\n0.750477 0.750477 0.507658 Cl\n0.750477 0.750477 0.991387 Cl\n0.991387 0.750477 0.507658 Cl\n0.507658 0.750477 0.991387 Cl\n0.750477 0.507658 0.750477 Cl\n0.750477 0.991387 0.750477 Cl\n0.750477 0.507658 0.991387 Cl\n0.750477 0.991387 0.507658 Cl\n0.507658 0.750477 0.750477 Cl\n0.991387 0.750477 0.750477 Cl\n","nsites":48,"nelements":2,"elements":["Ta","Cl"],"chemical_system":"Cl-Ta","density":2.8212141320433544,"density_atomic":0.02365379989944912,"volume":2029.2722608648553,"volume_molar":25.459506656857496,"formula_full":"Ta12 Cl36","formula_reduced":"TaCl3","formula_anonymous":"AB3","energy":-287.5541092,"energy_per_atom":-5.990710608333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-265.4501092,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.0561204,"is_theoretical":false,"updated_at":"2021-11-28T01:36:33.084000Z","spacegroup":227},{"id":"mp-1233750","created_at":"2022-09-04T14:44:20.790671Z","structure_string":"Mg1 V1 Fe1 P4 O14\n1.0\n5.006544 -0.094286 0.038870\n-0.171089 8.429515 0.017053\n-2.272181 0.088409 6.526439\nMg V Fe P O\n1 1 1 4 14\ndirect\n0.803774 0.362895 0.317418 Mg\n0.223120 0.504366 0.744320 V\n0.818156 0.975057 0.276671 Fe\n0.380982 0.180876 0.530662 P\n0.237995 0.776639 0.091322 P\n0.762944 0.279855 0.928107 P\n0.626379 0.677498 0.488636 P\n0.989369 0.342798 0.843572 O\n0.149015 0.679608 0.896216 O\n0.179069 0.038982 0.482112 O\n0.222836 0.338914 0.518433 O\n0.483620 0.640291 0.647107 O\n0.588505 0.410414 0.981838 O\n0.558947 0.157578 0.769731 O\n0.400241 0.646149 0.263837 O\n0.439659 0.917188 0.092478 O\n0.587704 0.193425 0.409055 O\n0.741439 0.847071 0.496093 O\n0.850911 0.553137 0.493818 O\n0.879029 0.185216 0.130266 O\n0.979137 0.823194 0.144457 O\n","nsites":21,"nelements":5,"elements":["Mg","V","Fe","P","O"],"chemical_system":"Fe-Mg-O-P-V","density":2.8810329204482477,"density_atomic":0.07606812608280185,"volume":276.06832298117916,"volume_molar":7.916772858903827,"formula_full":"Mg1 V1 Fe1 P4 O14","formula_reduced":"MgVFe(P2O7)2","formula_anonymous":"ABCD4E14","energy":-165.52554095000002,"energy_per_atom":-7.882168616666668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-151.95154095,"band_gap":2.0162,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.001248,"is_theoretical":true,"updated_at":"2021-11-28T01:36:35.066000Z","spacegroup":1},{"id":"mp-1228766","created_at":"2022-09-04T14:44:22.278445Z","structure_string":"Ba6 Nd2 V6 O24\n1.0\n2.867503 11.102230 0.000000\n-2.867503 11.102230 0.000000\n0.000000 0.785487 9.617774\nBa Nd V O\n6 2 6 24\ndirect\n0.003877 0.003877 0.015128 Ba\n0.332820 0.332820 0.658840 Ba\n0.661222 0.661222 0.324993 Ba\n0.800960 0.800960 0.992655 Ba\n0.136982 0.136982 0.661380 Ba\n0.195408 0.195408 0.010760 Ba\n0.512529 0.512529 0.631826 Nd\n0.877029 0.877029 0.328525 Nd\n0.937959 0.937959 0.660650 V\n0.274688 0.274688 0.320851 V\n0.602948 0.602948 0.980406 V\n0.053748 0.053748 0.364540 V\n0.397272 0.397272 0.017059 V\n0.735144 0.735144 0.662738 V\n0.549947 0.549947 0.117666 O\n0.881458 0.881458 0.789396 O\n0.221707 0.221707 0.461287 O\n0.452291 0.452291 0.873400 O\n0.795381 0.795381 0.528231 O\n0.108411 0.108411 0.227276 O\n0.309930 0.823079 0.470035 O\n0.655710 0.142312 0.117386 O\n0.981597 0.498248 0.770515 O\n0.823079 0.309930 0.470035 O\n0.142312 0.655710 0.117386 O\n0.498248 0.981597 0.770515 O\n0.982161 0.982161 0.302932 O\n0.326994 0.326994 0.950664 O\n0.663178 0.663178 0.604443 O\n0.679763 0.187577 0.559606 O\n0.015239 0.511361 0.220859 O\n0.343586 0.846872 0.882017 O\n0.187577 0.679763 0.559606 O\n0.511361 0.015239 0.220859 O\n0.846872 0.343586 0.882017 O\n0.008134 0.008134 0.724991 O\n0.347023 0.347023 0.378541 O\n0.675367 0.675367 0.045253 O\n","nsites":38,"nelements":4,"elements":["Ba","Nd","V","O"],"chemical_system":"Ba-Nd-O-V","density":4.886575849910245,"density_atomic":0.062053307120909944,"volume":612.376709044009,"volume_molar":9.704786157917335,"formula_full":"Ba6 Nd2 V6 O24","formula_reduced":"Ba3NdV3O12","formula_anonymous":"AB3C3D12","energy":-308.27122898,"energy_per_atom":-8.112400762631578,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-281.58322898,"band_gap":3.2482,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020064,"is_theoretical":true,"updated_at":"2021-11-28T01:36:21.919000Z","spacegroup":8},{"id":"mp-1194047","created_at":"2022-09-04T14:44:22.321282Z","structure_string":"Yb2 Zn26\n1.0\n0.000000 6.108051 6.108051\n6.108051 0.000000 6.108051\n6.108051 6.108051 0.000000\nYb Zn\n2 26\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.801461 0.559186 0.198539 Zn\n0.198539 0.440814 0.801461 Zn\n0.559186 0.801461 0.440814 Zn\n0.440814 0.198539 0.559186 Zn\n0.301461 0.940814 0.698539 Zn\n0.698539 0.059186 0.301461 Zn\n0.940814 0.301461 0.059186 Zn\n0.059186 0.698539 0.940814 Zn\n0.198539 0.801461 0.559186 Zn\n0.801461 0.198539 0.440814 Zn\n0.440814 0.559186 0.801461 Zn\n0.559186 0.440814 0.198539 Zn\n0.698539 0.301461 0.940814 Zn\n0.301461 0.698539 0.059186 Zn\n0.059186 0.940814 0.301461 Zn\n0.940814 0.059186 0.698539 Zn\n0.559186 0.198539 0.801461 Zn\n0.440814 0.801461 0.198539 Zn\n0.801461 0.440814 0.559186 Zn\n0.198539 0.559186 0.440814 Zn\n0.940814 0.698539 0.301461 Zn\n0.059186 0.301461 0.698539 Zn\n0.301461 0.059186 0.940814 Zn\n0.698539 0.940814 0.059186 Zn\n","nsites":28,"nelements":2,"elements":["Yb","Zn"],"chemical_system":"Yb-Zn","density":7.457071345988418,"density_atomic":0.061435595443030726,"volume":455.7618396645056,"volume_molar":9.80236411248644,"formula_full":"Yb2 Zn26","formula_reduced":"YbZn13","formula_anonymous":"AB13","energy":-40.22812018,"energy_per_atom":-1.4367185778571427,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.22812018,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2211257,"is_theoretical":false,"updated_at":"2021-11-28T01:36:36.103000Z","spacegroup":226},{"id":"mp-1214158","created_at":"2022-09-04T14:44:22.336001Z","structure_string":"C24 F24\n1.0\n4.476665 -7.753811 0.000000\n4.476665 7.753811 0.000000\n0.000000 0.000000 8.532670\nC F\n24 24\ndirect\n0.509884 0.722100 0.750000 C\n0.490116 0.277900 0.250000 C\n0.212216 0.490116 0.750000 C\n0.787784 0.509884 0.250000 C\n0.277900 0.787784 0.750000 C\n0.722100 0.212216 0.250000 C\n0.967603 0.476540 0.750000 C\n0.032397 0.523460 0.250000 C\n0.508937 0.032397 0.750000 C\n0.491063 0.967603 0.250000 C\n0.523460 0.491063 0.750000 C\n0.476540 0.508937 0.250000 C\n0.388157 0.545411 0.750000 C\n0.611843 0.454589 0.250000 C\n0.157254 0.611843 0.750000 C\n0.842746 0.388157 0.250000 C\n0.454589 0.842746 0.750000 C\n0.545411 0.157254 0.250000 C\n0.663554 0.693452 0.750000 C\n0.336446 0.306548 0.250000 C\n0.029898 0.336446 0.750000 C\n0.970102 0.663554 0.250000 C\n0.306548 0.970102 0.750000 C\n0.693452 0.029898 0.250000 C\n0.875711 0.472718 0.878843 F\n0.124289 0.527282 0.121157 F\n0.597007 0.124289 0.878843 F\n0.124289 0.527282 0.378843 F\n0.402993 0.875711 0.121157 F\n0.875711 0.472718 0.621157 F\n0.527282 0.402993 0.878843 F\n0.402993 0.875711 0.378843 F\n0.472718 0.597007 0.121157 F\n0.597007 0.124289 0.621157 F\n0.472718 0.597007 0.378843 F\n0.527282 0.402993 0.621157 F\n0.982406 0.233292 0.879148 F\n0.017594 0.766708 0.120852 F\n0.250886 0.017594 0.879148 F\n0.017594 0.766708 0.379148 F\n0.749114 0.982406 0.120852 F\n0.982406 0.233292 0.620852 F\n0.766708 0.749114 0.879148 F\n0.749114 0.982406 0.379148 F\n0.233292 0.250886 0.120852 F\n0.250886 0.017594 0.620852 F\n0.233292 0.250886 0.379148 F\n0.766708 0.749114 0.620852 F\n","nsites":48,"nelements":2,"elements":["C","F"],"chemical_system":"C-F","density":2.086242522748225,"density_atomic":0.08103198634798985,"volume":592.3586741890442,"volume_molar":7.431806909111256,"formula_full":"C24 F24","formula_reduced":"CF","formula_anonymous":"AB","energy":-318.09162006,"energy_per_atom":-6.62690875125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-307.00362006,"band_gap":4.4670000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0042106,"is_theoretical":true,"updated_at":"2021-11-28T01:36:33.956000Z","spacegroup":176},{"id":"mp-1185804","created_at":"2022-09-04T14:44:22.344285Z","structure_string":"Mg5 Ge1\n1.0\n1.585631 -7.945802 0.000000\n1.585631 7.945802 0.000000\n0.000000 0.000000 5.123014\nMg Ge\n5 1\ndirect\n0.671108 0.328892 0.000000 Mg\n0.331948 0.668052 0.000000 Mg\n0.999367 0.000633 0.000000 Mg\n0.560319 0.439681 0.500000 Mg\n0.881025 0.118975 0.500000 Mg\n0.222897 0.777103 0.500000 Ge\n","nsites":6,"nelements":2,"elements":["Mg","Ge"],"chemical_system":"Ge-Mg","density":2.4976100860796597,"density_atomic":0.04647890044188786,"volume":129.09083353858045,"volume_molar":12.95671950658434,"formula_full":"Mg5 Ge1","formula_reduced":"Mg5Ge","formula_anonymous":"AB5","energy":-12.63451955,"energy_per_atom":-2.1057532583333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.63451955,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000628,"is_theoretical":true,"updated_at":"2021-11-28T01:36:28.266000Z","spacegroup":38}]}