Data for: Theoretical realization of two-dimensional M3(C6X6)2(M= Co, Cr, Cu, Fe, Mn, Ni, Pd, Rh and X= O, S, Se) metal-organic frameworks

Name: Data for: Theoretical realization of two-dimensional M3(C6X6)2(M= Co, Cr, Cu, Fe, Mn, Ni, Pd, Rh and X= O, S, Se) metal-organic frameworks
Creator: Bohayra Mortazavi
Published: 2019-03-16T14:39:16.926Z
Keywords: Applied Sciences

Mortazavi, Bohayra; Rabczuk, Timon; Hussain, Tanveer; Shahrokhi, Masoud; Zhuang, Xiaoying

doi:10.17632/nsb5sgm964.1

Data for: Theoretical realization of two-dimensional M3(C6X6)2(M= Co, Cr, Cu, Fe, Mn, Ni, Pd, Rh and X= O, S, Se) metal-organic frameworks

Published: 16 March 2019| Version 1 | DOI: 10.17632/nsb5sgm964.1

Contributors:

Bohayra Mortazavi, Timon Rabczuk, Tanveer Hussain, Masoud Shahrokhi, Xiaoying Zhuang

Description

The energy minimized atomic lattices in the VASP POSCAR format and PAW potentials in the VASP POTCAR format

Data for: Theoretical realization of two-dimensional M3(C6X6)2(M= Co, Cr, Cu, Fe, Mn, Ni, Pd, Rh and X= O, S, Se) metal-organic frameworks

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