High-throughtput search for photostrictive materials based on a thermodynamic descriptor

Name: High-throughtput search for photostrictive materials based on a thermodynamic descriptor
Published: 2024-11-14T03:11:50+00:00
License: https://creativecommons.org/licenses/by/4.0/
Keywords: bandgap pressure coefficients

dataset

posted on 2024-11-14, 03:11 authored by Zeyu XiangZeyu Xiang

The txt file provides the VASP calculated bandgap pressure coefficients of materials (0-2 eV) from MaterialsProject. And the zip file lists bandgap (eV), pressure (kB), and volume (A^3) from SCF calculations.

High-throughtput search for photostrictive materials based on a thermodynamic descriptor

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