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_indexOriginal index from initial database filtering f_formReduced formula of fluorinated structure def_formReduced formula of defluorinated structure voltageVoltage of F/deF pair vs Li/Li+ vol_p_fVolume per mobile F (Å3) (fluorinated) per_expPercent expansion from defluorinated to fluorinated grav_capGravimetric capacity (mAh/g) (fluorinated) grav_e_denGravimetric energy density (Wh/kg) (fluorinated) vol_e_denVolumetric energy density (Wh/L) (fluorinated) f_transferNumber 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_fLog of $/mol of mobile F ion (fluorinated) f_idMaterials Project ID (fluorinated) def_idMaterials Project ID (defluorinated) f_spacegroupSpacegroup number (fluorinated) def_spacegroupSpacegroup number (defluorinated) f_e_hullHull energy (eV) (fluorinated) def_e_hullHull energy (eV) (defluorinated) f_bandgapBandgap (eV) (fluorinated) def_bandgapBandgap (eV) (defluorinated) f_barrierDiffusion barrier (eV) (fluorinated) def_barrierDiffusion barrier (eV) (defluorinated) directIs conversion a direct reaction? productsProducts of interface reaction (equal to F structure if direct) typeComplete or partial defluorination