Detail information of VP2(HO)6

Structure

Basic information

Pretty formulaVP2(HO)6
Full formulaV2P4H12O12
TagsOxovanadium bis(dihydrogenphosphate(I)) hydrate
Constituent elementsH; O; P; V;
Number of elements4
Number of sites30
Volume323.76383 Å3
Density2.20472 g/cm3
Source Materials Project

Space group

Spacegroup Number15
Hermann MauguinC2/c
Hall-C 2yc
Crystal SystemMonoclinic

Lattice Parameters

a7.341 Å b7.341 Å c7.689 Å
α63.600° β116.400° γ112.313°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-172.42304 eV -5.74744 eV -1.54450 eV 2.88450 eV 1.99998 eV 0.14568 eV