Davemaoite

CaSiO3

third-order Birch-Murnaghan · Original · 2014

V₀

46.21

Å³

Unit cell

K₀

206.600

GPa

Isothermal

K′

4.410

dimensionless

Volume (V₀)

Value	Unit	Basis	Z
46.21	Å³	Unit cell	—

Reported value and unit are preserved as extracted. Z (formula units per cell) is not stored yet, so molar ↔ Å³/f.u. conversion is not applied automatically.

Composition

Oxide	Molar
CaO	1
SiO2	1

Formula: CaSiO3

Conditions & method

T_ref: 1000 K
P_ref: —
Structure: other / unspecified
Method: molecular dynamics
first-principles molecular dynamics (FPMD, LDA), Mie-Grüneisen-Debye formulation
Sample: FPMD (LDA), this study, third-order Birch-Murnaghan fit

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: Original (measured or fitted in the source paper)

Evidence from the paper

Table 2: FPMD (LDA)b (This study; B-M EoS): T_Ref = 1000 K, V0 = 46.21 Å3, K_T0 = 206.6 GPa, K'_T0 = 4.41; footnote b: 'Fitted to the third-order Birch–Murnaghan EoS'

Additional notes

theta0 K

1100 (fixed)

gamma0

1.567

0.84