{"success":true,"data":{"mat_id":"agm020344609","formula":"MnNb6(TlCl9)2","summary":{"formula":"MnNb6(TlCl9)2","spg":148,"spg_symbol":"R-3","crystal_system":"trigonal","point_group":"-3","nsites":27,"n_elements":4,"elements":["Mn","Nb","Tl","Cl"]},"energy":{"e_above_hull":0.017875295,"e_form":-1.6021881,"energy_corrected":-140.14902,"energy_total":-140.14901936},"electronic":{"band_gap_ind":0.8306,"band_gap_dir":0.8767,"dos_ef":-0.185186},"magnetic":{"total_mag":5.0011063},"structure":{"a":10.111525865521761,"b":10.111525865459742,"c":10.111525870734695,"alpha":55.17649353853459,"beta":55.17649359125462,"gamma":55.17649357011686,"volume":649.0472346658344,"n_sites":27},"meta":{"prototype_id":"AB2C6D18_9_spg148","decomposition":" Nb6TlCl15  Nb3Tl2Cl9  MnCl2 ","run_timestamp":"2024-08-25 18:03:45.467595"},"composition":{"Mn":1,"Nb":6,"Tl":2,"Cl":18}}}