Resources

Fundamental properties of metallic alloys

Volume, bulk modulus and stacking fault energy calculator for Ni-base superalloys

Generalized planar fault energy, stress and twinnability of dilute Mg alloys

Impurity diffusion coefficients in Ni-base superalloys

YPHON

Y. Wang, J. J. Wang, W. Y. Wang, Z. G. Mei, S. L. Shang, L. Q. Chen, and Z. K. Liu, “A Mixed-space Scheme to the Direct Method for Phonons in Polar Materials”, J. Phys. Cond. Mat. (Fast Track Communication) 22 (2010) 202201, http://dx.doi.org/10.1088/0953-8984/22/20/202201

Atomic Lab: an integrated environment for VASP calculations

http://atomiclab.codeplex.com

VASP SQS Downloads

Please cite the references accordingly.

SQS

POSCAR File

Author

Year

Reference

FCC 16atomfcc.2575 C Wolverton 2001 Reference
16atomfcc.5050
BCC 16atombcc.2575 Chao Jiang 2004 Reference
16atombcc.5050
HCP 16atomhcp.2575 Dongwon Shin 2006 Reference
16atomhcp.5050
L12 (A,B)B3SQS.2575 Tao Wang 2006 Reference
(A,B)B3SQS.5050
A(A,B)B2SQS.2575
A(A,B)B2SQS.5050
Ternary FCC 16atomSQS.502525 Dongwon Shin 2007 Reference
24atomSQS.333333
32atomSQS.502525
B2 A1(B0.5,C0.5) Chao Jiang 2005 Reference
A1(B0.75,C0.25) Reference
Ternary BCC 36atombcc.A1B1C1 Chao Jiang Reference
32atombcc.A2B1C1
64atombcc.A2B3C3
64atombcc.A6B1C1
Perovskite: ABO3 ABO3-Perovskite James Saal Not Published
Garnet: A3B5O12 A3B5O12-Garnet James Saal Not Published
DHCP DHCPSQS.5050 Swetha Ganeshan Not Published
MgB2 MgB2SQS Arkapol Saengdeejing Not Published

Comments are closed.