Detail information of Ca19(Mg4H27)2

Structure

Basic information

Pretty formulaCa19(Mg4H27)2
Full formulaCa19Mg8H54
TagsCalcium magnesium deuteride (19/8/54)
Constituent elementsCa; H; Mg;
Number of elements3
Number of sites81
Volume906.33241 Å3
Density1.85112 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a10.559 Å b10.559 Å c10.559 Å
α109.471° β109.471° γ109.471°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-270.13736 eV -3.33503 eV -0.54898 eV 2.78860 eV 0.00000 eV 0.00000 eV