Detail information of V2P2H4O11

Structure

Basic information

Pretty formulaV2P2H4O11
Full formulaV8P8H16O44
TagsBis(oxovanadium(IV)) bis(hydrogenphosphate(V)) hydrate - LT
Constituent elementsH; O; P; V;
Number of elements4
Number of sites76
Volume823.14875 Å3
Density2.77464 g/cm3
Source Materials Project

Space group

Spacegroup Number14
Hermann MauguinP21/c
Hall-P 2ybc
Crystal SystemMonoclinic

Lattice Parameters

a11.045 Å b7.495 Å c11.431 Å
α90.000° β119.549° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-507.81474 eV -6.68177 eV -2.20143 eV 1.70570 eV 8.00000 eV 0.02318 eV