Published August 6, 2023
| Version v1
Dataset
Open
Ab initio results for dolerophanite, Cu2OSO4
Creators
- 1. Felix Bloch Institute for Solid-State Physics, Leipzig University, 04103 Leipzig, Germany
Description
Collection of ab initio (DFT) results for the magnetic exchange couplings in dolerophanite, Cu2OSO4. The data set also includes density of states (DOS) and Wannier projections used for evaluating and visualizing magnetic orbitals.
Files
Cu2OSO4-cif-files.zip
Files
(125.7 MB)
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Additional details
Related works
- Is published in
- Publication: 10.1103/PhysRevB.108.224410 (DOI)