Davemaoite
CaSiO3
fourth-order Birch-Murnaghan · Original · 2005
Why this differs from similar rows?
BM4 fit for the P4/mbm candidate structural model; sibling rows fit different candidate space groups with the same BM4 model.
V₀
44.641
ų
Unknown basis
K₀
244
GPa
Unknown
K′
4.261
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 44.641 | ų | 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
- other / unspecified
- Method
- first-principles DFT / ab initiofirst-principles DFT (plane waves, Troullier-Martins pseudopotentials)
- Sample
- first-principles static calculation
Source
- Paper
- CaSiO3 perovskite at lower mantle pressures
- Authors
- Razvan Caracas; Renata M. Wentzcovitch; G. D. Price; John P. Brodholt
- DOI
- 10.1029/2004gl022144
- Year
- 2005
- Journal
- Geophysical Research Letters
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
Table 2: BM4 for P4/mbm: V(Å3)=44.641, K(GPa)=244, K'=4.261, K''=-0.002.
Additional notes
Kpp
-0.002
Kpp name
K''