Direct reactions

Contains only direct reactions between fluorinated and defluorinated materials. In our dataset, these materials are the most promising for use as a cathode. Column titles are defined below. orig_index Original index from initial database filtering f_form Reduced formula of fluorinated structure def_form Reduced formula of defluorinated structure voltage Voltage of F/deF pair vs Li/Li+ vol_p_f Volume per mobile F (Å3) (fluorinated) per_exp Percent expansion from defluorinated to fluorinated grav_cap Gravimetric capacity (mAh/g) (fluorinated) grav_e_den Gravimetric energy density (Wh/kg) (fluorinated) vol_e_den Volumetric energy density (Wh/L) (fluorinated) f_transfer Number of mobile F ions between pair f_cost_p_kg $/kg of fluorinated structure def_cost_p_kg $/kg of defluorinated structure f_cost_p_mol $/mol of fluorinated structure def_cost_p_mol $/mol of defluorinated structure cost_p_mol_f $/mol of mobile F ion (fluorinated) log_cost_p_mol_f Log of $/mol of mobile F ion (fluorinated) f_id Materials Project ID (fluorinated) def_id Materials Project ID (defluorinated) f_spacegroup Spacegroup number (fluorinated) def_spacegroup Spacegroup number (defluorinated) f_e_hull Hull energy (eV) (fluorinated) def_e_hull Hull energy (eV) (defluorinated) f_bandgap Bandgap (eV) (fluorinated) def_bandgap Bandgap (eV) (defluorinated) f_barrier Diffusion barrier (eV) (fluorinated) def_barrier Diffusion barrier (eV) (defluorinated) direct Is conversion a direct reaction? products Products of interface reaction (equal to F structure if direct) type Complete or partial defluorination