Davemaoite
CaSiO3
finite strain (unspecified form) · Cited · 2015
V₀
27.8
cm³/mol
Molar
K₀
206.600
GPa
Unknown
K′
4.410
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 27.8 | cm³/mol | Molar | — |
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
- other / unspecified
- Method
- first-principles DFT / ab initiofirst-principles calculation (density functional theory, LDA; P-V-T EoS from Kawai and Tsuchiya [2014])
- Sample
- theoretical (80-atom tetragonal supercell FPMD)
Source
- Paper
- Small shear modulus of cubic CaSiO3 perovskite
- Authors
- Kenji Kawai; Taku Tsuchiya
- DOI
- 10.1002/2015gl063446
- Year
- 2015
- Journal
- Geophysical Research Letters
- Origin
- Cited (quoted from earlier work)
Evidence from the paper
In our fitting of Cij, reference parameters of B0, B0', and V0 were fixed to the EoS parameters determined in our previous study, 206.6 GPa, 4.41, and 27.8 cm3/mol, respectively [Kawai and Tsuchiya, 2014].
Additional notes
note
Parameters determined in the authors' previous P-V-T EoS study (Kawai and Tsuchiya, 2014) and held fixed in this study's finite-strain fitting of elastic constants Cij for cubic CaPv.
usage in this study
fixed reference parameters for elastic constant fitting