Davemaoite
CaSiO3
Birch-Murnaghan (order unspecified) · Cited · 1996
V₀
44.99
ų
Unit cell
K₀
289.900
GPa
Isothermal
K′
4.370
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 44.99 | 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
- —
- Pref
- —
- Structure
- cubic perovskite (Pm-3m)
- Method
- unknownperiodic Hartree-Fock (PHF), static lattice E-V fit
- Sample
- PHF static lattice calculation (Sherman, 1993), Table 1
Source
- Paper
- First‐principles calculation of the equation‐of‐state, stability, and polar opt…
- Authors
- A. V. G. Chizmeshya; George H. Wolf; Paul F. McMillan
- DOI
- 10.1029/96gl02624
- Year
- 1996
- Journal
- Geophysical Research Letters
- Origin
- Cited (quoted from earlier work)
Evidence from the paper
Table 1: PHF (Sherman, 1993. Non-relativistic total energy): E0 = -1190.69479 Hartree, V0 = 44.99 Å3, K0 = 289.9 GPa, K0' = 4.37.
Additional notes
E0 Hartree
-1190.69479
reference
Sherman [1993]