- 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.
Det er ikke laget noen visninger for denne ressursen ennå.
Resource Metadata
metadata modified | for 6 år siden |
---|---|
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 |
Sist endret | 27. juni 2019 |
---|---|
Opprettet | 25. juni 2019 |
Format | application/zip |
Lisens | Lisens er ikke oppgitt |