zenodoopen
Supplementary files for "Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI=Na, K and MIII=Cr, Al) Heterometallic Perovskites"
<p>DFT optimised structures and phonon data of [C<sub>2</sub>H<sub>5</sub>NH<sub>3</sub>] (ethylamonium, EtA) based formate perovskites EtANaCr, EtANaAl and EtAKCr. The zip-files Phonons-XXX contain the calculated force constants, the frequencies at the gamma point, the calculated density of states and the thermal properties.</p>
ShareScore
40/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 8
- Harmonization
- 4
- Access
- 16
- Reuse readiness
- 8
- Engagement
- 4
Topics
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