Davemaoite
CaSiO3
third-order Birch-Murnaghan · Cited · 2014
Why this differs from similar rows?
Cites Zhang et al. (2006) molecular dynamics EOS; other rows in this Table 2 compilation cite different original studies (Wang 1996, Shim 2000, Ricolleau 2010).
V₀
45.58
ų
Unit cell
K₀
242
GPa
Isothermal
K′
4.180
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 45.58 | ų | Unit cell | — |
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
- 300 K
- Pref
- —
- Structure
- —
- Method
- molecular dynamicsmolecular dynamics
- Sample
- Molecular dynamics [Zhang, 2006]
Source
- Paper
- P‐V‐T equation of state of cubic CaSiO3 perovskite from first‐principles comput…
- Authors
- Kenji Kawai; Taku Tsuchiya
- DOI
- 10.1002/2013jb010905
- Year
- 2014
- Journal
- Journal of Geophysical Research Solid Earth
- Origin
- Cited (quoted from earlier work)
Evidence from the paper
Table 2: [Zhang, 2006]: T_Ref = 300 K, V0 = 45.58 Å3, K_T0 = 242 GPa, K'_T0 = 4.18, Θ0 = 1100 (fixed), γ0 = 1.52, q = 0.97
Additional notes
theta0 K
1100 (fixed)
gamma0
1.52
q
0.97
reference
Zhang et al. (2006), Equations of state of CaSiO3 perovskite: A molecular dynamics study