id: 10
Nov. 19, 2021
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AFLOW prototype encyclopedia

Duke University | 2020

Stefano Curtarolo;

Description:

The AFLOW standard encyclopedia of crystallographic prototypes provides a complete description of each structure, including formulas for the primitive vectors, basis vectors, and AFLOW commands to generate the standardized cells. Electronic structure geometry files are available to download in both CIF and POSCAR formats. Number of prototypes in the encyclopedia: 1100

Citation:

M. J. Mehl, D. Hicks, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 1, Comp. Mat. Sci. 136, S1-S828 (2017).

Keywords:

crystallographic prototypes,

Curator: hujianju@gmail.com