Detail information of BaZn2H16O11

Structure

Basic information

Pretty formulaBaZn2H16O11
Full formulaBa4Zn8H64O44
TagsBarium catena-hexahydroxodizincate pentahydrate
Constituent elementsBa; H; O; Zn;
Number of elements4
Number of sites120
Volume1,437.91632 Å3
Density2.12610 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a6.385 Å b18.503 Å c12.244 Å
α90.000° β96.221° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-535.38347 eV -4.46153 eV -1.03244 eV 0.19560 eV 11.77626 eV 0.54110 eV