Detail information of NaV2P2(H4O7)2

Structure

Basic information

Pretty formulaNaV2P2(H4O7)2
Full formulaNa2V4P4H16O28
TagsSodium oxovanadium phosphate(V) hydrate (0.5/1/1/2)
Constituent elementsH; Na; O; P; V;
Number of elements5
Number of sites54
Volume535.98181 Å3
Density2.59546 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a6.369 Å b6.359 Å c13.446 Å
α80.176° β87.330° γ89.859°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-333.69366 eV -6.17951 eV -2.02774 eV 0.00000 eV 0.02737 eV 0.02757 eV