Dataset

Ferrimagnetism_induced_by_thermal_vibrations_in_oxygen-deficient_manganite_heterostructures


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Species content of dataset



Name :
Ferrimagnetism_induced_by_thermal_vibrations_in_oxygen-deficient_manganite_heterostructures
Extended ID :
Ferrimagnetism_induced_by_thermal_vibrations_in_oxygen-deficient_manganite_heterostructures__Kaviani-Ricca-Aschauer__DS_vesysby9oheq_0
ColabFit ID :
DS_vesysby9oheq_0
Files :
colabfitspec.json
Description :
Data from the paper 'Ferrimagnetism induced by thermal vibrations in oxygen-deficient manganite heterostructures'. Includes Quantum ESPRESSO calculations of SrCaMnO3 and SrMnO3, stoichiometric and defective cells.
Authors :
Moloud Kaviani, Chiara Ricca, Ulrich Aschauer
DOI :
None https://commons.datacite.org/doi.org/None https://doi.datacite.org/dois/None https://doi.org/None Cite as: Kaviani, M., Ricca, C., and Aschauer, U. "Ferrimagnetism induced by thermal vibrations in oxygen-deficient manganite heterostructures." ColabFit, 2025. https://doi.org/None.
For other citation formats, see the DataCite Fabrica page for this dataset.
Num. Configurations :
11,594
Num. Atoms :
459,546
Downloads :
0
Calculated Property Types :
atomic_forces cauchy_stress energy
Elements :
Ca (10.12%) Mn (20.51%) O (58.98%) Sr (10.39%)
Methods :
DFT-PBEsol+U
Software :
Quantum ESPRESSO
Publication Link :
https://doi.org/10.1103/2266-h6bk
Data Source Link :
https://doi.org/10.24435/materialscloud:9q-vd
Other Links :
https://doi.org/10.48550/arXiv.2405.04630
Configuration Sets by Name :
Configuration Sets by ID :
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