- Email Maintainer
-
BCM-structures.zip
Structure files (cif and vasp) and DFT calculations for the 12R and 10H polytypes of BCM in different magnetic and atomic configurations.
Ni še narejenih pogledov za ta vir.
Resource Metadata
metadata modified | pred 6 leti |
---|---|
method | Density functional theory |
mimetype | application/zip |
modelling and simulation comments | PBE+U (Mn-d: 3 eV; Ce-d 1.5 eV; Ce-f 2.0 eV) |
size | 2,7 MiB |
software | vasp, cif2cell, findsym |
Nazadnje posodobljeno | 27. junij 2019 |
---|---|
Ustvarjeno | 25. junij 2019 |
Format | application/zip |
Licenca | Licenca ni izbrana |