Post-perovskite
MgSiO3
unknown · Cited · 2016
V₀
167.67
ų/cell
Formula unit
K₀
—
K′
—
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 167.67 | ų/cell | Formula unit | — |
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
- —
- Pref
- —
- Structure
- post-perovskite (CaIrO3-type, Cmcm)
- Method
- first-principles DFT / ab initioab initio (DFT, GGA)
- Sample
- Table 1 row: Ono and Oganov (Ab initio, GGA)
Source
- Paper
- Experimental and theoretical thermal equations of state of MgSiO3 post-perovski…
- Authors
- Takeshi Sakai; Haruhiko Dekura; Naohisa Hirao
- DOI
- 10.1038/srep22652
- Year
- 2016
- Journal
- Scientific Reports
- Origin
- Cited (quoted from earlier work)
Evidence from the paper
Table 1: (no model listed) | 167.67 | γ0=1.553 | γ∞=1.114 | β=4.731 | Ab initio, GGA | Ono and Oganov8
Additional notes
gamma0
1.553
gamma inf
1.114
beta
4.731
note
No K0 or K0' reported in this table row
reference
Ono and Oganov (ref. 8)