Structure

Basic information

Pretty formulaBa3(Mo9O14)2
Full formulaBa6Mo36O56
Tags
Constituent elementsBa; Mo; O;
Number of elements3
Number of sites98
Volume1,498.34314 Å3
Density5.73383 g/cm3
Source Materials Project

Space group

Spacegroup Number4
Hermann MauguinP21
HallP 2yb
Crystal SystemMonoclinic

Lattice Parameters

a9.783 Å b10.602 Å c14.681 Å
α100.270° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-690.55231 eV -7.04645 eV -1.81636 eV 0.79680 eV 100.00000 eV 0.23738 eV