Periclase

MgO

unknown · Original · 1991

V₀

18.07

Å³

Unknown basis

K₀

175

GPa

Unknown

K′

4.200

dimensionless

Volume (V₀)

Value	Unit	Basis	Z
18.07	Å³	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: B2 CsCl-type
Method: first-principles DFT / ab initio
ab initio modified potential-induced-breathing (MPIB) electron-gas calculation
Sample: Table IV, MgO (B2), our model (MPIB calculation)

Source

Paper: Modified potential-induced-breathing model of potentials between close-shell io…
Authors: Huoyi Zhang; M. S. T. Bukowinski
DOI: 10.1103/physrevb.44.2495
Year: 1991
Journal: Physical review. B, Condensed matter
Origin: Original (measured or fitted in the source paper)

Evidence from the paper

Table IV: MgO (B2), Our model: V0 = 18.07 Å3, K = 175 GPa, K' = 4.20 (room-temperature properties); static lattice constant 2.613 Å, static K0 = 182 GPa.

Additional notes

static lattice constant D0 A

2.613

static bulk modulus K0 GPa

cohesive energy eV

30.5

Debye temperature K

Gruneisen parameter

1.26

B1 B2 transition pressure this study GPa

note

Predicted B1-B2 transition at 580 GPa; no transition observed experimentally up to 200 GPa.