Periclase

MgO

fourth-order Birch-Murnaghan · Original · 2000

V₀

—

Unknown basis

K₀

161

GPa

Isothermal

K′

4.100

dimensionless

Volume (V₀)

Value	Unit	Basis	Z
—	—	Unknown basis	—

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
MgO	1

Formula: MgO

Conditions & method

T_ref: 300 K
P_ref: —
Structure: B1 rocksalt (Fm-3m)
Method: molecular dynamics
molecular dynamics simulation (fit of simulated P-V relation)
Sample: MD simulated MgO (breathing shell model), Table 2 elastic moduli

Source

Paper: The MD simulation of the equation of state of MgO: Application as a pressure ca…
Authors: Masanori Matsui; Stephen C. Parker; Maurice Leslie
DOI: 10.2138/am-2000-2-308
Year: 2000
Journal: American Mineralogist
Origin: Original (measured or fitted in the source paper)

Evidence from the paper

The MD calculated isothermal bulk moduli at 0 GPa, which are obtained from fitting the simulated P-V relation to the fourth-order Birch-Murnaghan equation ... TABLE 2 ... KT ... MD 161 ... Pressure derivatives of elastic constants (dimensionless) ... MD 9.4 0.8 1.4 4.1 2.4

Additional notes

table

Table 2, at 300 K and 0 GPa

other MD values

C11 = 294 GPa, C44 = 157 GPa, C12 = 94 GPa, G = 131 GPa; dKT/dT = -0.028 GPa/K