The lattice and energy level of MA2Z4

Published: 5 August 2022| Version 2 | DOI: 10.17632/t897j52xgx.2
Contributors:
chao lin, Xiang Feng, Xiaopeng Liu

Description

This dataset is used to download the unit cell file of MA2Z4 (M=K, Rb, Ca, Sr, Ba, Sc, Y, Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W, Mn, Fe, Ru, Os, Co, Rh, Ir, Ni, Pd, Pt, Cu, Ag, Au, Zn, Cd, Ga, In, Ge, Sn, Pb; A=C, Si, Ge; Z=N, P, As) and the pbe band assignment and HSE band assignment for researchers.

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Institutions

Beihang University, Beihang University School of Materials Science and Engineering

Categories

Photocatalysis

Licence