Structure

Basic information

Pretty formulaSiMo12H24C6N3O40
Full formulaSi2Mo24H48C12N6O80
TagsTris(dimethylammonium) silicatohydroxopentatriacontaoxododecamolybdate;
Tris(dimethylammonium) hydro
Constituent elementsC; H; Mo; N; O; Si;
Number of elements6
Number of sites172
Volume2,056.68626 Å3
Density3.16110 g/cm3
Source Materials Project

Space group

Spacegroup Number166
Hermann MauguinR-3m
Hall-R 3 2"
Crystal SystemHexagonal

Lattice Parameters

a12.864 Å b12.864 Å c12.864 Å
α80.949° β80.949° γ80.949°

Note: if the model can't be displayed, try Firefox or Chrome.

Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-1,088.37401 eV -6.32776 eV -1.44759 eV 0.00000 eV -0.00046 eV 0.23475 eV