Detail information of Ba(HO)2

Structure

Basic information

Pretty formulaBa(HO)2
Full formulaBa20H40O40
TagsBarium dideuteriooxide - alpha;
Barium deuteriooxide - alpha;
Barium bis(hydroxide) - alpha
Constituent elementsBa; H; O;
Number of elements3
Number of sites100
Volume1,389.39345 Å3
Density4.09559 g/cm3
Source Materials Project

Space group

Spacegroup Number62
Hermann MauguinPnma
Hall-P 2ac 2n
Crystal SystemOrthorhombic

Lattice Parameters

a11.383 Å b16.716 Å c7.302 Å
α90.000° β90.000° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-547.67113 eV -5.47671 eV -2.10216 eV 3.25750 eV 0.00269 eV 0.02463 eV