Structure

Basic information

Pretty formulaMgZr3Tl10(MoO4)12
Full formulaMg1Zr3Tl10Mo12O48
Tags
Constituent elementsMg; Mo; O; Tl; Zr;
Number of elements5
Number of sites74
Volume1,326.30218 Å3
Density5.33488 g/cm3
Source Materials Project

Space group

Spacegroup Number155
Hermann MauguinR32
HallR 3 2"
Crystal SystemHexagonal

Lattice Parameters

a14.408 Å b14.408 Å c14.408 Å
α44.309° β44.309° γ44.309°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-501.77926 eV -6.78080 eV -2.15812 eV 2.94350 eV 0.00238 eV 0.00000 eV