Structure

Basic information

Pretty formulaNd(SiRu)2
Full formulaNd1Si2Ru2
TagsNeodymium ruthenium silicide (1/2/2)
Constituent elementsNd; Ru; Si;
Number of elements3
Number of sites5
Volume87.61996 Å3
Density7.62903 g/cm3
Source Materials Project

Space group

Spacegroup Number139
Hermann MauguinI4/mmm
Hall-I 4 2
Crystal SystemTetragonal

Lattice Parameters

a4.222 Å b4.222 Å c5.750 Å
α111.540° β111.540° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-38.59123 eV -7.71825 eV -0.88800 eV 0.00000 eV 0.00000 eV 0.00000 eV