Detail information of BaV2H2(Se2O7)2

Structure

Basic information

Pretty formulaBaV2H2(Se2O7)2
Full formulaBa2V4H4Se8O28
TagsBarium bis(oxovanadium(IV)) bis(selenate(IV)) bis(hydrogenselenate(IV))
Constituent elementsBa; H; O; Se; V;
Number of elements5
Number of sites46
Volume638.35183 Å3
Density4.06352 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.888 Å b7.206 Å c10.013 Å
α90.000° β116.525° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-276.38958 eV -6.00847 eV -1.81625 eV 2.42230 eV 4.00000 eV 0.00000 eV