Periclase

MgO

fourth-order Birch-Murnaghan · Original · 1990

V₀

19.97

Å³

Unit cell

K₀

127.600

GPa

Isothermal

K′

4.740

dimensionless

Volume (V₀)

Value	Unit	Basis	Z
19.97	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
MgO	1

Formula: MgO

Conditions & method

T_ref: 2000 K
P_ref: —
Structure: B1 rocksalt (Fm-3m)
Method: first-principles DFT / ab initio
ab initio PIB model + quasi-harmonic lattice dynamics; fourth-order Birch fit of Helmholtz free energies vs volume
Sample: calculated, 2000 K isotherm

Source

Paper: Calculated elastic and thermal properties of MGO at high pressures and temperat…
Authors: Donald G. Isaak; R. E. Cohen; Michael J. Mehl
DOI: 10.1029/jb095ib05p07055
Year: 1990
Journal: Journal of Geophysical Research Atmospheres
Origin: Original (measured or fitted in the source paper)

Evidence from the paper

Table 1, 2000 K column: V = 19.97 A^3; K_T = 127.6 GPa; K_T' = 4.74; K_T'' = -0.052 GPa^-1.

Additional notes

K T double prime

-0.052 GPa^-1

alpha 2000K

48.2x10^-6 K^-1 (calculated)

gamma 2000K

1.50 (calculated)