Detail information of Ba2V3P6HO22

Structure

Basic information

Pretty formulaBa2V3P6HO22
Full formulaBa2V3P6H1O22
TagsDibarium trivanadium(III) hydrogen bis(phosphate) bis(diphosphate)
Constituent elementsBa; H; O; P; V;
Number of elements5
Number of sites34
Volume453.25800 Å3
Density3.54016 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a4.921 Å b8.034 Å c11.484 Å
α88.702° β89.223° γ87.057°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-251.63484 eV -7.40103 eV -2.84682 eV 1.94480 eV 6.00000 eV 0.00000 eV