Davemaoite
CaSiO3
unknown · Original · 2009
V₀
—
Unknown basis
K₀
220
GPa
Unknown
K′
3.690
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| — | — | Unknown basis | — |
Reported value and unit are preserved as extracted. Z (formula units per cell) is not stored yet, so molar ↔ ų/f.u. conversion is not applied automatically.
Composition
| Oxide | Molar |
|---|---|
| CaO | 1 |
| SiO2 | 1 |
Formula: CaSiO3
Conditions & method
- Tref
- —
- Pref
- —
- Structure
- cubic perovskite (Pm-3m)
- Method
- first-principles DFT / ab initiofirst-principles DFT (GGA, VASP, PAW), static/athermal calculation
- Sample
- —
Source
- Paper
- Dislocation modeling in calcium silicate perovskite based on the Peierls-Nabarr…
- Authors
- D. Ferré; Patrick Cordier; Philippe Carrez
- DOI
- 10.2138/am.2009.3003
- Year
- 2009
- Journal
- American Mineralogist
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
Table 2. Comparison of lattice parameter and elastic properties at zero pressure with previous results: This study (GGA) — a (Å) 3.603, K0 (GPa) 220, K′0 3.69.
Additional notes
lattice parameter a A
3.603
note
V0 not reported as a volume; only cubic lattice parameter a given. Athermal (static) DFT-GGA results.