Post-perovskite
MgGeO3
Birch-Murnaghan (order unspecified) · Original · 2006
V₀
178.02
ų
Unit cell
K₀
201.900
GPa
Isothermal
K′
4.340
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 178.02 | 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 |
| GeO2 | 1 |
Formula: MgGeO3
Conditions & method
- Tref
- —
- Pref
- —
- Structure
- post-perovskite (CaIrO3-type, Cmcm)
- Method
- first-principles DFT / ab initiofirst-principles calculations, density functional theory (LDA, VASP, PAW)
- Sample
- DFT (LDA) calculation, this study
Source
- Paper
- Stability and equation of state of the post‐perovskite phase in MgGeO3 to 2 Mbar
- Authors
- Atsushi Kubo; Boris Kiefer; Guoyin Shen; Vitali B. Prakapenka; R. J. Cava; T. S. Duffy
- DOI
- 10.1029/2006gl025686
- Year
- 2006
- Journal
- Geophysical Research Letters
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
Our DFT calculations at 0 K yielded V0 = 178.02 Å3, K0 = 201.9 GPa, and K'0 = 4.34 for the pPv phase (Table 2). Table 2: MgGeO3 178.02 201.9 4.34 DFT, 1 (This study).