Structure

Basic information

Pretty formulaMo12PH24C6N3O40
Full formulaMo24P2H48C12N6O80
TagsTris(dimethylammonium) dodecamolybdophosphate(V)
Constituent elementsC; H; Mo; N; O; P;
Number of elements6
Number of sites172
Volume2,075.01240 Å3
Density3.13781 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a12.896 Å b12.896 Å c12.896 Å
α81.150° β81.150° γ81.150°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-1,091.26688 eV -6.34458 eV -1.46464 eV 2.32910 eV 0.00000 eV 0.19884 eV