{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_theoretical&page=65","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_theoretical&page=63","results":[{"id":"mp-1100568","created_at":"2022-09-04T14:42:08.364885Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n2.887899 0.000000 0.000000\n0.000000 5.198861 0.000000\n0.000000 2.273265 19.298267\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.868249 0.875388 Li\n0.500000 0.616164 0.617806 Li\n0.500000 0.383961 0.378678 Li\n0.500000 0.136422 0.128277 Li\n0.000000 0.382241 0.874258 Li\n0.000000 0.119157 0.620944 Li\n0.000000 0.873948 0.376090 Li\n0.000000 0.622180 0.127399 Li\n0.500000 0.998515 0.499438 Li\n0.000000 0.002762 0.000482 Mn\n0.000000 0.748047 0.747052 Mn\n0.000000 0.499174 0.499674 Co\n0.000000 0.250386 0.252680 Co\n0.500000 0.500912 0.000365 Co\n0.500000 0.246425 0.749502 Co\n0.500000 0.750511 0.250968 Co\n0.500000 0.176380 0.943561 O\n0.500000 0.912941 0.688965 O\n0.500000 0.668463 0.445092 O\n0.500000 0.436967 0.193688 O\n0.000000 0.669141 0.939551 O\n0.000000 0.403693 0.693182 O\n0.000000 0.240262 0.447178 O\n0.000000 0.938414 0.193878 O\n0.500000 0.586113 0.805600 O\n0.500000 0.331021 0.555045 O\n0.500000 0.062069 0.311443 O\n0.500000 0.824723 0.056518 O\n0.000000 0.087140 0.806160 O\n0.000000 0.761239 0.553117 O\n0.000000 0.567959 0.307918 O\n0.000000 0.334420 0.060104 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.143618444927318,"density_atomic":0.11044383060422372,"volume":289.7400409324106,"volume_molar":5.452672844697307,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-206.38774481,"energy_per_atom":-6.4496170253125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-183.86974481,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":22.4875291,"is_theoretical":true,"updated_at":"2021-11-28T01:35:38.988000Z","spacegroup":6},{"id":"mp-1022140","created_at":"2022-09-04T14:42:09.083934Z","structure_string":"Rb1 Mg6 Cu1\n1.0\n3.141691 -7.720079 0.000000\n3.141691 7.720079 0.000000\n0.000000 0.000000 4.594019\nRb Mg Cu\n1 6 1\ndirect\n0.282916 0.717084 0.500000 Rb\n0.208514 0.301617 0.000000 Mg\n0.698383 0.791486 0.000000 Mg\n0.683680 0.316320 0.000000 Mg\n0.323128 0.167397 0.500000 Mg\n0.832603 0.676872 0.500000 Mg\n0.873257 0.126743 0.500000 Mg\n0.097517 0.902483 0.000000 Cu\n","nsites":8,"nelements":3,"elements":["Rb","Mg","Cu"],"chemical_system":"Cu-Mg-Rb","density":2.1970154053366726,"density_atomic":0.03589897030874832,"volume":222.84761738835886,"volume_molar":16.77524649929151,"formula_full":"Rb1 Mg6 Cu1","formula_reduced":"RbMg6Cu","formula_anonymous":"ABC6","energy":-12.91726302,"energy_per_atom":-1.6146578775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.91726302,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005093,"is_theoretical":true,"updated_at":"2021-11-28T01:35:39.910000Z","spacegroup":38},{"id":"mp-756891","created_at":"2022-09-04T14:42:09.517228Z","structure_string":"Li4 Nb3 Cr5 O16\n1.0\n2.987446 5.227181 0.000000\n-2.987446 5.227181 0.000000\n0.000000 0.060728 9.762743\nLi Nb Cr O\n4 3 5 16\ndirect\n0.667403 0.667403 0.897011 Li\n0.011118 0.011118 0.995431 Li\n0.005376 0.005376 0.494906 Li\n0.334008 0.334008 0.386455 Li\n0.831759 0.831759 0.211542 Nb\n0.644511 0.187312 0.711294 Nb\n0.187312 0.644511 0.711294 Nb\n0.831744 0.339839 0.214514 Cr\n0.666183 0.666183 0.480717 Cr\n0.339839 0.831744 0.214514 Cr\n0.166869 0.166869 0.713969 Cr\n0.328717 0.328717 0.989634 Cr\n0.829496 0.329251 0.601338 O\n0.521129 0.521129 0.338422 O\n0.669889 0.669889 0.103202 O\n0.000166 0.000166 0.312102 O\n0.003602 0.003602 0.812974 O\n0.329251 0.829496 0.601338 O\n0.960331 0.521849 0.340125 O\n0.521849 0.960331 0.340125 O\n0.162861 0.162861 0.101716 O\n0.832999 0.832999 0.599318 O\n0.480134 0.041894 0.840699 O\n0.041894 0.480134 0.840699 O\n0.320094 0.320094 0.588490 O\n0.669251 0.159231 0.103526 O\n0.483349 0.483349 0.858975 O\n0.159231 0.669251 0.103526 O\n","nsites":28,"nelements":4,"elements":["Li","Nb","Cr","O"],"chemical_system":"Cr-Li-Nb-O","density":4.479105385906432,"density_atomic":0.09183084411859392,"volume":304.9084462714914,"volume_molar":6.55786279414221,"formula_full":"Li4 Nb3 Cr5 O16","formula_reduced":"Li4Nb3Cr5O16","formula_anonymous":"A3B4C5D16","energy":-236.55832719,"energy_per_atom":-8.448511685357143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-215.57132719,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.0016818,"is_theoretical":true,"updated_at":"2021-11-28T01:35:40.008000Z","spacegroup":8},{"id":"mp-757584","created_at":"2022-09-04T14:42:09.526004Z","structure_string":"Li8 V2 P4 O18\n1.0\n3.395855 -7.325493 0.000000\n3.395855 7.325493 0.000000\n0.000000 0.000000 7.235069\nLi V P O\n8 2 4 18\ndirect\n0.385312 0.614688 0.227618 Li\n0.885312 0.114688 0.772382 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.614688 0.385312 0.772382 Li\n0.114688 0.885312 0.227618 Li\n0.750000 0.750000 0.500000 Li\n0.250000 0.250000 0.500000 Li\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.388166 0.611834 0.771487 P\n0.888166 0.111834 0.228513 P\n0.611834 0.388166 0.228513 P\n0.111834 0.888166 0.771487 P\n0.988963 0.011037 0.282829 O\n0.488963 0.511037 0.717171 O\n0.856543 0.143457 0.025726 O\n0.356543 0.643457 0.974274 O\n0.040193 0.345297 0.317579 O\n0.154703 0.459807 0.682421 O\n0.654703 0.959807 0.317579 O\n0.540193 0.845297 0.682421 O\n0.750000 0.250000 0.598326 O\n0.250000 0.750000 0.401674 O\n0.845297 0.540193 0.317579 O\n0.959807 0.654703 0.682421 O\n0.345297 0.040193 0.682421 O\n0.459807 0.154703 0.317579 O\n0.143457 0.856543 0.974274 O\n0.643457 0.356543 0.025726 O\n0.511037 0.488963 0.282829 O\n0.011037 0.988963 0.717171 O\n","nsites":32,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.6262011522302062,"density_atomic":0.08889786065184899,"volume":359.9636680270824,"volume_molar":6.77422461670313,"formula_full":"Li8 V2 P4 O18","formula_reduced":"Li4VP2O9","formula_anonymous":"AB2C4D9","energy":-228.22512314,"energy_per_atom":-7.132035098125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-212.45912314,"band_gap":1.2345,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0000008,"is_theoretical":true,"updated_at":"2021-11-28T01:35:38.565000Z","spacegroup":67},{"id":"mp-1213017","created_at":"2022-09-04T14:42:10.373665Z","structure_string":"Gd12 Sc8 Al12 O48\n1.0\n-6.262996 6.262996 6.262996\n6.262996 -6.262996 6.262996\n6.262996 6.262996 -6.262996\nGd Sc Al O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Gd\n0.750000 0.625000 0.875000 Gd\n0.750000 0.125000 0.375000 Gd\n0.125000 0.250000 0.375000 Gd\n0.375000 0.750000 0.125000 Gd\n0.250000 0.875000 0.625000 Gd\n0.875000 0.750000 0.625000 Gd\n0.625000 0.250000 0.875000 Gd\n0.375000 0.125000 0.250000 Gd\n0.625000 0.875000 0.750000 Gd\n0.125000 0.375000 0.750000 Gd\n0.875000 0.625000 0.250000 Gd\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.500000 0.500000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n0.250000 0.625000 0.375000 Al\n0.750000 0.375000 0.625000 Al\n0.750000 0.875000 0.125000 Al\n0.375000 0.250000 0.625000 Al\n0.625000 0.750000 0.375000 Al\n0.250000 0.125000 0.875000 Al\n0.125000 0.750000 0.875000 Al\n0.875000 0.250000 0.125000 Al\n0.625000 0.375000 0.250000 Al\n0.375000 0.625000 0.750000 Al\n0.875000 0.125000 0.750000 Al\n0.125000 0.875000 0.250000 Al\n0.476694 0.375823 0.288186 O\n0.523306 0.624177 0.711814 O\n0.587637 0.188509 0.211814 O\n0.912363 0.124177 0.600871 O\n0.288186 0.476694 0.375823 O\n0.311491 0.912363 0.288186 O\n0.412363 0.811491 0.788186 O\n0.087637 0.875823 0.399129 O\n0.711814 0.523306 0.624177 O\n0.688509 0.087637 0.711814 O\n0.023306 0.311491 0.899129 O\n0.211814 0.587637 0.188509 O\n0.124177 0.023306 0.211814 O\n0.976694 0.688509 0.100871 O\n0.788186 0.412363 0.811491 O\n0.875823 0.976694 0.788186 O\n0.600871 0.912363 0.124177 O\n0.188509 0.476694 0.600871 O\n0.399129 0.087637 0.875823 O\n0.811491 0.523306 0.399129 O\n0.899129 0.023306 0.311491 O\n0.375823 0.587637 0.899129 O\n0.100871 0.976694 0.688509 O\n0.624177 0.412363 0.100871 O\n0.375823 0.288186 0.476694 O\n0.587637 0.899129 0.375823 O\n0.624177 0.711814 0.523306 O\n0.412363 0.100871 0.624177 O\n0.124177 0.600871 0.912363 O\n0.023306 0.211814 0.124177 O\n0.875823 0.399129 0.087637 O\n0.976694 0.788186 0.875823 O\n0.311491 0.899129 0.023306 O\n0.912363 0.288186 0.311491 O\n0.688509 0.100871 0.976694 O\n0.087637 0.711814 0.688509 O\n0.188509 0.211814 0.587637 O\n0.476694 0.600871 0.188509 O\n0.811491 0.788186 0.412363 O\n0.523306 0.399129 0.811491 O\n0.288186 0.311491 0.912363 O\n0.711814 0.688509 0.087637 O\n0.211814 0.124177 0.023306 O\n0.788186 0.875823 0.976694 O\n0.899129 0.375823 0.587637 O\n0.100871 0.624177 0.412363 O\n0.600871 0.188509 0.476694 O\n0.399129 0.811491 0.523306 O\n","nsites":80,"nelements":4,"elements":["Gd","Sc","Al","O"],"chemical_system":"Al-Gd-O-Sc","density":5.641319269874371,"density_atomic":0.08141109434790589,"volume":982.6670509810905,"volume_molar":7.397199126527778,"formula_full":"Gd12 Sc8 Al12 O48","formula_reduced":"Gd3Sc2Al3O12","formula_anonymous":"A2B3C3D12","energy":-805.40371289,"energy_per_atom":-10.067546411124999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-772.4277128899998,"band_gap":3.2885000000000004,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":84.0065466,"is_theoretical":true,"updated_at":"2021-11-28T01:35:38.951000Z","spacegroup":230},{"id":"mp-764869","created_at":"2022-09-04T14:42:07.827517Z","structure_string":"Li12 Mn4 Fe4 Co4 P12 O48\n1.0\n6.092305 0.000000 0.000000\n0.000000 10.460450 0.000000\n0.000000 0.027440 14.277940\nLi Mn Fe Co P O\n12 4 4 4 12 48\ndirect\n0.750793 0.997557 0.667163 Li\n0.249525 0.998677 0.999651 Li\n0.750475 0.998677 0.999651 Li\n0.248976 0.998107 0.333074 Li\n0.751024 0.998107 0.333074 Li\n0.249207 0.997557 0.667163 Li\n0.249254 0.502405 0.500928 Li\n0.750746 0.502405 0.500928 Li\n0.249550 0.501519 0.166756 Li\n0.750450 0.501519 0.166756 Li\n0.250156 0.502577 0.832853 Li\n0.749844 0.502577 0.832853 Li\n0.500000 0.218043 0.160192 Mn\n0.500000 0.218546 0.493810 Mn\n0.500000 0.218091 0.826690 Mn\n0.000000 0.281834 0.660037 Mn\n0.000000 0.280339 0.992894 Fe\n0.000000 0.281874 0.325761 Fe\n0.500000 0.719934 0.007165 Fe\n0.500000 0.720094 0.340992 Fe\n0.500000 0.721553 0.674054 Co\n0.000000 0.778198 0.839141 Co\n0.000000 0.780165 0.506937 Co\n0.000000 0.779080 0.172966 Co\n0.000000 0.090465 0.806034 P\n0.000000 0.092423 0.138374 P\n0.000000 0.091610 0.470585 P\n0.500000 0.408689 0.306909 P\n0.500000 0.410674 0.639186 P\n0.500000 0.408349 0.973582 P\n0.000000 0.596462 0.360550 P\n0.000000 0.595675 0.027335 P\n0.000000 0.597838 0.694148 P\n0.500000 0.902105 0.860679 P\n0.500000 0.902569 0.194197 P\n0.500000 0.902080 0.527783 P\n0.500000 0.040304 0.236236 O\n0.500000 0.039322 0.569890 O\n0.500000 0.039732 0.902864 O\n0.000000 0.095486 0.577980 O\n0.000000 0.096037 0.913587 O\n0.000000 0.098567 0.245891 O\n0.201070 0.163005 0.092288 O\n0.798930 0.163005 0.092288 O\n0.201818 0.162331 0.425323 O\n0.798182 0.162331 0.425323 O\n0.201900 0.160805 0.760847 O\n0.798100 0.160805 0.760847 O\n0.701865 0.340001 0.594279 O\n0.298135 0.340001 0.594279 O\n0.703155 0.337311 0.263175 O\n0.296845 0.337311 0.263175 O\n0.703146 0.337180 0.929974 O\n0.296854 0.337180 0.929974 O\n0.500000 0.406768 0.414158 O\n0.500000 0.406235 0.081238 O\n0.500000 0.405185 0.746737 O\n0.000000 0.458210 0.401537 O\n0.000000 0.457883 0.068764 O\n0.000000 0.460449 0.736709 O\n0.500000 0.545695 0.264414 O\n0.500000 0.545244 0.931298 O\n0.500000 0.548580 0.598927 O\n0.000000 0.599365 0.252842 O\n0.000000 0.598118 0.919656 O\n0.000000 0.598225 0.586493 O\n0.202497 0.666303 0.071956 O\n0.202350 0.666297 0.405571 O\n0.203533 0.668350 0.738699 O\n0.796467 0.668350 0.738699 O\n0.797503 0.666303 0.071956 O\n0.797650 0.666297 0.405571 O\n0.703991 0.832351 0.905075 O\n0.296009 0.832351 0.905075 O\n0.704154 0.832855 0.238424 O\n0.703347 0.831245 0.571798 O\n0.295846 0.832855 0.238424 O\n0.296653 0.831245 0.571798 O\n0.500000 0.901888 0.753037 O\n0.500000 0.901922 0.419867 O\n0.500000 0.902209 0.086605 O\n0.000000 0.952694 0.765764 O\n0.000000 0.954158 0.099356 O\n0.000000 0.953282 0.430484 O\n","nsites":84,"nelements":6,"elements":["Li","Mn","Fe","Co","P","O"],"chemical_system":"Co-Fe-Li-Mn-O-P","density":3.4707187398182873,"density_atomic":0.09231700962637693,"volume":909.9081560371451,"volume_molar":6.52332737419968,"formula_full":"Li12 Mn4 Fe4 Co4 P12 O48","formula_reduced":"Li3MnFeCo(PO4)3","formula_anonymous":"ABCD3E3F12","energy":-632.3335543400001,"energy_per_atom":-7.527780408809525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-577.10955434,"band_gap":1.3838999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":48.0675618,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.649000Z","spacegroup":6},{"id":"mp-1178063","created_at":"2022-09-04T14:42:10.387770Z","structure_string":"Li16 Cr16 S24 O96\n1.0\n8.844395 0.000000 0.000000\n0.000000 8.871099 0.000000\n0.000000 0.000000 24.605481\nLi Cr S O\n16 16 24 96\ndirect\n0.038407 0.622244 0.290784 Li\n0.038407 0.877756 0.790784 Li\n0.142149 0.931850 0.009358 Li\n0.142149 0.568150 0.509358 Li\n0.357851 0.068150 0.509358 Li\n0.357851 0.431850 0.009358 Li\n0.461593 0.122244 0.290784 Li\n0.461593 0.377756 0.790784 Li\n0.538407 0.622244 0.209216 Li\n0.538407 0.877756 0.709216 Li\n0.642149 0.568150 0.990642 Li\n0.642149 0.931850 0.490642 Li\n0.857851 0.431850 0.490642 Li\n0.857851 0.068150 0.990642 Li\n0.961593 0.122244 0.209216 Li\n0.961593 0.377756 0.709216 Li\n0.006824 0.403015 0.065946 Cr\n0.006824 0.096985 0.565946 Cr\n0.997264 0.794663 0.180331 Cr\n0.997264 0.705337 0.680331 Cr\n0.502736 0.294663 0.180331 Cr\n0.502736 0.205337 0.680331 Cr\n0.493176 0.596985 0.565946 Cr\n0.493176 0.903015 0.065946 Cr\n0.506824 0.403015 0.434054 Cr\n0.506824 0.096985 0.934054 Cr\n0.497264 0.705337 0.819669 Cr\n0.497264 0.794663 0.319669 Cr\n0.002736 0.294663 0.319669 Cr\n0.002736 0.205337 0.819669 Cr\n0.993176 0.903015 0.434054 Cr\n0.993176 0.596985 0.934054 Cr\n0.144127 0.945752 0.296058 S\n0.144127 0.554248 0.796058 S\n0.146204 0.251397 0.445112 S\n0.146204 0.248603 0.945112 S\n0.192631 0.097427 0.115256 S\n0.192631 0.402573 0.615256 S\n0.307369 0.597427 0.115256 S\n0.307369 0.902573 0.615256 S\n0.353796 0.751397 0.445112 S\n0.353796 0.748603 0.945112 S\n0.355873 0.445752 0.296058 S\n0.355873 0.054248 0.796058 S\n0.644127 0.554248 0.703942 S\n0.644127 0.945752 0.203942 S\n0.646204 0.251397 0.054888 S\n0.646204 0.248603 0.554888 S\n0.692631 0.097427 0.384744 S\n0.692631 0.402573 0.884744 S\n0.807369 0.597427 0.384744 S\n0.807369 0.902573 0.884744 S\n0.853796 0.751397 0.054888 S\n0.853796 0.748603 0.554888 S\n0.855873 0.445752 0.203942 S\n0.855873 0.054248 0.703942 S\n0.063060 0.383761 0.465878 O\n0.063060 0.116239 0.965878 O\n0.080019 0.090324 0.275864 O\n0.080019 0.409676 0.775864 O\n0.082244 0.106806 0.469508 O\n0.082244 0.393194 0.969508 O\n0.089030 0.909434 0.350666 O\n0.089030 0.590566 0.850666 O\n0.094392 0.195511 0.081608 O\n0.094392 0.304489 0.581608 O\n0.094972 0.820446 0.258306 O\n0.094972 0.679554 0.758306 O\n0.094587 0.016740 0.154995 O\n0.094587 0.483260 0.654995 O\n0.136647 0.240172 0.385535 O\n0.136647 0.259828 0.885535 O\n0.188075 0.456521 0.294840 O\n0.188075 0.043479 0.794840 O\n0.190026 0.682027 0.143945 O\n0.190026 0.817973 0.643945 O\n0.192813 0.759621 0.463178 O\n0.192813 0.740379 0.963178 O\n0.236367 0.013829 0.576455 O\n0.236367 0.486171 0.076455 O\n0.263633 0.513829 0.576455 O\n0.263633 0.986171 0.076455 O\n0.307187 0.240379 0.963178 O\n0.307187 0.259621 0.463178 O\n0.309974 0.182027 0.143945 O\n0.309974 0.317973 0.643945 O\n0.311925 0.956521 0.294840 O\n0.311925 0.543479 0.794840 O\n0.363353 0.740172 0.385535 O\n0.363353 0.759828 0.885535 O\n0.405413 0.983260 0.654995 O\n0.405413 0.516740 0.154995 O\n0.405028 0.320446 0.258306 O\n0.405028 0.179554 0.758306 O\n0.405608 0.695511 0.081608 O\n0.405608 0.804489 0.581608 O\n0.410970 0.090566 0.850666 O\n0.410970 0.409434 0.350666 O\n0.417756 0.893194 0.969508 O\n0.417756 0.606806 0.469508 O\n0.419981 0.590324 0.275864 O\n0.419981 0.909676 0.775864 O\n0.436940 0.616239 0.965878 O\n0.436940 0.883761 0.465878 O\n0.563060 0.383761 0.034122 O\n0.563060 0.116239 0.534122 O\n0.580019 0.090324 0.224136 O\n0.580019 0.409676 0.724136 O\n0.582244 0.106806 0.030492 O\n0.582244 0.393194 0.530492 O\n0.589030 0.590566 0.649334 O\n0.589030 0.909434 0.149334 O\n0.594392 0.195511 0.418392 O\n0.594392 0.304489 0.918392 O\n0.594972 0.820446 0.241694 O\n0.594972 0.679554 0.741694 O\n0.594587 0.016740 0.345005 O\n0.594587 0.483260 0.845005 O\n0.636647 0.240172 0.114465 O\n0.636647 0.259828 0.614465 O\n0.688075 0.456521 0.205160 O\n0.688075 0.043479 0.705160 O\n0.690026 0.682027 0.356055 O\n0.690026 0.817973 0.856055 O\n0.692813 0.759621 0.036822 O\n0.692813 0.740379 0.536822 O\n0.736367 0.486171 0.423545 O\n0.736367 0.013829 0.923545 O\n0.763633 0.986171 0.423545 O\n0.763633 0.513829 0.923545 O\n0.807187 0.259621 0.036822 O\n0.807187 0.240379 0.536822 O\n0.809974 0.182027 0.356055 O\n0.809974 0.317973 0.856055 O\n0.811925 0.543479 0.705160 O\n0.811925 0.956521 0.205160 O\n0.863353 0.740172 0.114465 O\n0.863353 0.759828 0.614465 O\n0.905413 0.516740 0.345005 O\n0.905413 0.983260 0.845005 O\n0.905028 0.320446 0.241694 O\n0.905028 0.179554 0.741694 O\n0.905608 0.695511 0.418392 O\n0.905608 0.804489 0.918392 O\n0.910970 0.409434 0.149334 O\n0.910970 0.090566 0.649334 O\n0.917756 0.606806 0.030492 O\n0.917756 0.893194 0.530492 O\n0.919981 0.590324 0.224136 O\n0.919981 0.909676 0.724136 O\n0.936940 0.616239 0.534122 O\n0.936940 0.883761 0.034122 O\n","nsites":152,"nelements":4,"elements":["Li","Cr","S","O"],"chemical_system":"Cr-Li-O-S","density":2.794177673970183,"density_atomic":0.07873469915218471,"volume":1930.5338260860344,"volume_molar":7.648648975415433,"formula_full":"Li16 Cr16 S24 O96","formula_reduced":"Li2Cr2(SO4)3","formula_anonymous":"A2B2C3D12","energy":-1074.63410499,"energy_per_atom":-7.069961217039474,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-976.69810499,"band_gap":1.7921000000000005,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":64.000028,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.733000Z","spacegroup":61},{"id":"mp-1022712","created_at":"2022-09-04T14:42:08.380191Z","structure_string":"Cs1 Mg6 Zn1\n1.0\n2.976435 -9.196142 0.000000\n2.976435 9.196142 0.000000\n0.000000 0.000000 5.226205\nCs Mg Zn\n1 6 1\ndirect\n0.290914 0.709086 0.500000 Cs\n0.314562 0.182389 0.500000 Mg\n0.817611 0.685438 0.500000 Mg\n0.200981 0.286330 0.000000 Mg\n0.713670 0.799019 0.000000 Mg\n0.616970 0.383030 0.000000 Mg\n0.108972 0.891028 0.000000 Mg\n0.936323 0.063677 0.500000 Zn\n","nsites":8,"nelements":3,"elements":["Cs","Mg","Zn"],"chemical_system":"Cs-Mg-Zn","density":1.9974290494661573,"density_atomic":0.027962209082249855,"volume":286.1004284914787,"volume_molar":21.53671314839999,"formula_full":"Cs1 Mg6 Zn1","formula_reduced":"CsMg6Zn","formula_anonymous":"ABC6","energy":-10.33585047,"energy_per_atom":-1.29198130875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.33585047,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024166,"is_theoretical":true,"updated_at":"2021-11-28T01:35:38.548000Z","spacegroup":38},{"id":"mp-1178537","created_at":"2022-09-04T14:42:11.387016Z","structure_string":"Co6 C6 O21\n1.0\n4.166398 7.289878 0.000000\n-4.166398 7.289878 0.000000\n0.000000 0.383559 8.220044\nCo C O\n6 6 21\ndirect\n0.000903 0.998446 0.716217 Co\n0.001554 0.999097 0.283783 Co\n0.339971 0.335429 0.170566 Co\n0.329677 0.335992 0.737335 Co\n0.664571 0.660029 0.829434 Co\n0.664008 0.670323 0.262665 Co\n0.659709 0.998365 0.732041 C\n0.999415 0.334618 0.730146 C\n0.340238 0.666598 0.731558 C\n0.001635 0.340291 0.267959 C\n0.665382 0.000585 0.269854 C\n0.333402 0.659762 0.268442 C\n0.004037 0.995963 0.500000 O\n0.763851 0.068434 0.210301 O\n0.572803 0.164264 0.665168 O\n0.487549 0.097008 0.267128 O\n0.333135 0.330318 0.956505 O\n0.166197 0.257326 0.668043 O\n0.420816 0.481614 0.268628 O\n0.068770 0.175411 0.215183 O\n0.931566 0.236149 0.789699 O\n0.093844 0.423894 0.254859 O\n0.257268 0.584851 0.676997 O\n0.168063 0.754436 0.213571 O\n0.835736 0.427197 0.334832 O\n0.902992 0.512451 0.732872 O\n0.669682 0.666865 0.043495 O\n0.742674 0.833803 0.331957 O\n0.518386 0.579184 0.731372 O\n0.824589 0.931230 0.784817 O\n0.576106 0.906156 0.745141 O\n0.415149 0.742732 0.323003 O\n0.245564 0.831937 0.786429 O\n","nsites":33,"nelements":3,"elements":["Co","C","O"],"chemical_system":"C-Co-O","density":2.532910420756827,"density_atomic":0.06608894021348016,"volume":499.32711726657385,"volume_molar":9.112176319588892,"formula_full":"Co6 C6 O21","formula_reduced":"Co2C2O7","formula_anonymous":"A2B2C7","energy":-249.41548382,"energy_per_atom":-7.558044964242424,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-225.16048382,"band_gap":0.7283000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0007852,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.491000Z","spacegroup":5},{"id":"mp-1517397","created_at":"2022-09-04T14:42:08.387654Z","structure_string":"Sr8 Sm4 W4 O24\n1.0\n8.456251 -0.000000 0.000000\n-0.000000 8.456251 0.000000\n0.000000 0.000000 8.456251\nSr Sm W 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 Sm\n0.750000 0.250000 0.250000 Sm\n0.250000 0.750000 0.250000 Sm\n0.250000 0.250000 0.750000 Sm\n0.250000 0.250000 0.250000 W\n0.250000 0.750000 0.750000 W\n0.750000 0.250000 0.750000 W\n0.750000 0.750000 0.250000 W\n0.213904 0.289493 0.482701 O\n0.213904 0.710507 0.517299 O\n0.786096 0.289493 0.517299 O\n0.786096 0.710507 0.482701 O\n0.289493 0.482701 0.213904 O\n0.710507 0.517299 0.213904 O\n0.289493 0.517299 0.786096 O\n0.710507 0.482701 0.786096 O\n0.482701 0.213904 0.289493 O\n0.517299 0.213904 0.710507 O\n0.517299 0.786096 0.289493 O\n0.482701 0.786096 0.710507 O\n0.286096 0.210507 0.017299 O\n0.286096 0.789493 0.982701 O\n0.713904 0.210507 0.982701 O\n0.713904 0.789493 0.017299 O\n0.210507 0.017299 0.286096 O\n0.789493 0.982701 0.286096 O\n0.210507 0.982701 0.713904 O\n0.789493 0.017299 0.713904 O\n0.017299 0.286096 0.210507 O\n0.982701 0.286096 0.789493 O\n0.982701 0.713904 0.210507 O\n0.017299 0.713904 0.789493 O\n","nsites":40,"nelements":4,"elements":["Sr","Sm","W","O"],"chemical_system":"O-Sm-Sr-W","density":6.650342628523104,"density_atomic":0.06614947404060063,"volume":604.6911268780332,"volume_molar":9.10383770595634,"formula_full":"Sr8 Sm4 W4 O24","formula_reduced":"Sr2SmWO6","formula_anonymous":"ABC2D6","energy":-326.15869715,"energy_per_atom":-8.15396742875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-291.91869715,"band_gap":2.0057000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0000002,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.677000Z","spacegroup":201},{"id":"mp-684881","created_at":"2022-09-04T14:42:07.490936Z","structure_string":"Mn27 Sb26\n1.0\n9.955258 0.000000 0.000000\n-1.715037 10.635475 0.000000\n-4.629754 -4.664274 10.006698\nMn Sb\n27 26\ndirect\n0.002439 0.999410 0.998673 Mn\n0.461600 0.076165 0.230422 Mn\n0.501249 0.998481 0.999334 Mn\n0.923337 0.153179 0.461231 Mn\n0.960751 0.076862 0.227212 Mn\n0.421656 0.152660 0.460491 Mn\n0.384244 0.229895 0.693226 Mn\n0.848324 0.315427 0.926331 Mn\n0.885842 0.234229 0.691146 Mn\n0.309630 0.384959 0.154285 Mn\n0.348587 0.306805 0.923390 Mn\n0.808204 0.384316 0.154649 Mn\n0.767662 0.462900 0.385411 Mn\n0.226806 0.536791 0.614847 Mn\n0.265128 0.457961 0.380735 Mn\n0.691516 0.612715 0.843571 Mn\n0.729667 0.536906 0.616436 Mn\n0.156176 0.689999 0.080854 Mn\n0.194869 0.613649 0.845035 Mn\n0.617849 0.769729 0.309369 Mn\n0.652298 0.694361 0.075274 Mn\n0.073671 0.846524 0.538194 Mn\n0.116954 0.769123 0.309206 Mn\n0.534802 0.919950 0.765772 Mn\n0.576941 0.848879 0.541385 Mn\n0.763970 0.809762 0.757327 Mn\n0.038500 0.925502 0.772814 Mn\n0.647225 0.040162 0.449137 Sb\n0.817420 0.057487 0.784987 Sb\n0.108576 0.117061 0.679921 Sb\n0.277052 0.114446 0.013386 Sb\n0.572290 0.192621 0.910243 Sb\n0.738031 0.190834 0.244324 Sb\n0.032260 0.270549 0.138313 Sb\n0.198218 0.265968 0.473964 Sb\n0.492955 0.346329 0.371753 Sb\n0.658145 0.344004 0.703681 Sb\n0.953845 0.423384 0.601356 Sb\n0.125392 0.421624 0.935920 Sb\n0.416749 0.499872 0.831543 Sb\n0.583915 0.498630 0.165585 Sb\n0.876926 0.580782 0.065466 Sb\n0.043608 0.575596 0.397263 Sb\n0.342720 0.655655 0.297631 Sb\n0.489132 0.641453 0.619103 Sb\n0.800088 0.734764 0.532236 Sb\n0.980841 0.722797 0.865977 Sb\n0.260031 0.808997 0.755848 Sb\n0.428753 0.806046 0.090435 Sb\n0.725092 0.883672 0.980542 Sb\n0.892593 0.885212 0.320730 Sb\n0.185780 0.962008 0.218296 Sb\n0.352510 0.960600 0.552148 Sb\n","nsites":53,"nelements":2,"elements":["Mn","Sb"],"chemical_system":"Mn-Sb","density":7.286460033331779,"density_atomic":0.05002368325830862,"volume":1059.4981526314746,"volume_molar":12.038579264352272,"formula_full":"Mn27 Sb26","formula_reduced":"Mn27Sb26","formula_anonymous":"A26B27","energy":-360.62591942,"energy_per_atom":-6.804262630566038,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-355.63391942,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":82.261977,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.107000Z","spacegroup":1},{"id":"mp-1184429","created_at":"2022-09-04T14:42:10.941109Z","structure_string":"Eu3 Th1\n1.0\n5.367766 0.000000 0.000000\n0.000000 5.367766 0.000000\n0.000000 0.000000 5.367766\nEu Th\n3 1\ndirect\n0.000000 0.500000 0.500000 Eu\n0.500000 0.000000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n0.000000 0.000000 0.000000 Th\n","nsites":4,"nelements":2,"elements":["Eu","Th"],"chemical_system":"Eu-Th","density":7.386057069860701,"density_atomic":0.025863021802806866,"volume":154.66096848612978,"volume_molar":23.28475305753494,"formula_full":"Eu3 Th1","formula_reduced":"Eu3Th","formula_anonymous":"AB3","energy":-37.27557626,"energy_per_atom":-9.318894065,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.27557626,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":23.3642419,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.820000Z","spacegroup":221}]}