Table 1 List of column titles in cathode datasets with descriptions.
From: Assessing ternary materials for fluoride-ion batteries
Column name | Description |
|---|---|
orig_index | Original index from initial database filtering |
f_form | Reduced formula of fluorinated structure |
def_form | Reduced formula of defluorinated structure |
voltage_lif | Voltage of F/deF pair vs. Li/LiF |
voltage_f2 | Voltage of F/deF pair vs F2 |
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 |
