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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.
Šim resursam pašreiz vēl nav izveidots skats.
Resource Metadata
metadata modified | pirms 6 gadiem |
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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 |
Pēdējo reizi mainīts | 2019. gada 27. jūnijs |
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Izveidots | 2019. gada 25. jūnijs |
Formāts | application/zip |
Licence | Nav norādīta licence |