Dataset The effect of the halide anion on the optical properties of lead halide perovskites

File description:

• MAX.cif:

Crystal structure data in CIF (Crystallographic Information File) format for the Figure 1 in the article. https://www.iucr.org/resources/cif

The way to obtain the files described below is detailed in the methodology section in the article:

• SALIDA.TOT.MAPbX (X=Cl,Br,I, and Y=Pb,Cl,Br,I)

Date files corresponding to figure 3 in the article labeled as “alpha_{TOT}”.

First|second column: energy (eV)|absorption coefficient (cm^-1)

• SALIDA.Y-X.MAPbX (X=Cl,Br,I, and Y=Pb,Cl,Br,I)

Date files corresponding to figure 3 in the article labeled as “alpha_{YX}”.

First|second column: energy (eV)|absorption coefficient (cm^-1)

• SALIDA.s1Y-s2X.MAPbX (X=Cl,Br,I, Y=Pb,Cl,Br,I, and   s1,s2 =s,p,d)

Date files corresponding to figure 4 in the article labeled as “alpha_{s1(Y)-s2(X)}”.

First|second column: energy (eV)|absorption coefficient (cm^-1)