Structure

Basic information

Pretty formulaNd(SiNi)2
Full formulaNd1Si2Ni2
TagsNeodymium nickel silicide (1/2/2)
Constituent elementsNd; Ni; Si;
Number of elements3
Number of sites5
Volume78.81713 Å3
Density6.69549 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a4.050 Å b4.050 Å c5.594 Å
α111.222° β111.222° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-31.23023 eV -6.24605 eV -0.81169 eV 0.00000 eV 0.00000 eV 0.00000 eV