Bridgmanite
MgSiO3
unknown · Original · 2001
V₀
164.1
ų
Unit cell
K₀
247
GPa
Isothermal
K′
3.970
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 164.1 | 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 |
|---|---|
| MgO | 1 |
| SiO2 | 1 |
Formula: MgSiO3
Conditions & method
- Tref
- 300 K
- Pref
- —
- Structure
- perovskite (unspecified)
- Method
- first-principles DFT / ab initiofirst-principles (DFT, LDA, pseudopotentials) with density functional perturbation theory phonons, quasi-harmonic approximation
- Sample
- Table 1, Calc (300 K)
Source
- Paper
- First principles thermoelasticity of MgSiO3‐perovskite: Consequences for the in…
- Authors
- Bijaya B. Karki; Renata M. Wentzcovitch; Stefano de Gironcoli; Stefano Baroni
- DOI
- 10.1029/2001gl012910
- Year
- 2001
- Journal
- Geophysical Research Letters
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
Table 1: Calc (300 K) column: V (Å^3) 164.1; KT (GPa) 247; ∂KT/∂P 3.97. Text: 'the bulk modulus (KT = 247 GPa) is underestimated with respect to the experimental value'.
Additional notes
dKT dT GPa per K
-0.031
alpha 1e-5 per K
2.15
note
The volume at ambient conditions is 1% larger than the experimental volume