Accession Number:

ADA627366

Title:

Supplementary Material for "Finding the Stable Structures of N1-xWX with an Ab-initio High-Throughput Approach"

Descriptive Note:

Corporate Author:

NAVAL RESEARCH LAB WASHINGTON DC CENTER FOR COMPUTATIONAL MATERIALS SCIENCE

Report Date:

2015-05-08

Pagination or Media Count:

43.0

Abstract:

This is a listing of structures discussed in the main body of the paper, including space groups lattice constants, Wycko positions of atoms, k-point mesh information, energy as computed by VASP, and enthalpy compared to the reference system of N2 and BCC W. Additionally, high symmetry points for the simple cubic body centered cubic Brillouin zones are shown.

Subject Categories:

  • Crystallography

Distribution Statement:

APPROVED FOR PUBLIC RELEASE