Davemaoite

CaSiO3

third-order Birch-Murnaghan · Cited · 2014

V₀

48.65

Å³

Unit cell

K₀

170.900

GPa

Isothermal

K′

4.760

dimensionless

Volume (V₀)

Value	Unit	Basis	Z
48.65	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: 2000 K
P_ref: —
Structure: other / unspecified
Method: molecular dynamics
first-principles molecular dynamics (FPMD, GGA)
Sample: FPMD (GGA) [Li et al., 2006a, 2006b]

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: Cited (quoted from earlier work)

Evidence from the paper

Table 2: FPMD (GGA)b [Li et al., 2006a, 2006b]: T_Ref = 2000 K, V0 = 48.65 Å3, K_T0 = 170.9 GPa, K'_T0 = 4.76; footnote b: 'Fitted to the third-order Birch–Murnaghan EoS'; text notes 'their reported crystal structure is not cubic but tetragonal'

Additional notes

gamma0

1.63

1.0