BCM polytype structures from DFT - BCM-structures.zip

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Resource Metadata

metadata modified	6 年前
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

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