Detail information of CsNa2(H5O3)3

Structure

Basic information

Pretty formulaCsNa2(H5O3)3
Full formulaCs4Na8H60O36
TagsCesium disodium deuteriooxide hexakis(dideuteriohydrate)
Constituent elementsCs; H; Na; O;
Number of elements4
Number of sites108
Volume1,056.07347 Å3
Density2.12584 g/cm3
Source Materials Project

Space group

Spacegroup Number29
Hermann MauguinPca21
HallP 2c -2ac
Crystal SystemOrthorhombic

Lattice Parameters

a13.914 Å b6.089 Å c12.465 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
-521.58282 eV -4.82947 eV -1.48960 eV 4.74810 eV 0.00000 eV 0.00161 eV