Detail information of Yb19(Mg4H27)2

Structure

Basic information

Pretty formulaYb19(Mg4H27)2
Full formulaYb19Mg8H54
TagsYtterbium magnesium deuteride (19/8/54)
Constituent elementsH; Mg; Yb;
Number of elements3
Number of sites81
Volume875.59115 Å3
Density6.70714 g/cm3
Source Materials Project

Space group

Spacegroup Number204
Hermann MauguinIm-3
Hall-I 2 2 3
Crystal SystemCubic

Lattice Parameters

a10.439 Å b10.439 Å c10.439 Å
α109.471° β109.471° γ109.471°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-264.46561 eV -3.26501 eV -0.58922 eV 2.77560 eV 0.00000 eV 0.00000 eV