Structure

Basic information

Pretty formulaBa2Mg3H10
Full formulaBa4Mg6H20
TagsDibarium trimagnesium hydride;
Dibarium trimagnesium deuteride
Constituent elementsBa; H; Mg;
Number of elements3
Number of sites30
Volume385.24117 Å3
Density3.08321 g/cm3
Source Materials Project

Space group

Spacegroup Number12
Hermann MauguinC2/m
Hall-C 2y
Crystal SystemMonoclinic

Lattice Parameters

a9.482 Å b9.482 Å c7.867 Å
α68.874° β111.126° γ143.944°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-95.64219 eV -3.18807 eV -0.45262 eV 3.02650 eV 0.00010 eV 0.00000 eV