Structure

Basic information

Pretty formulaNa2Ca9NdY5HoF41
Full formulaNa2Ca9Nd1Y5Ho1F41
Tags
Constituent elementsCa; F; Ho; Na; Nd; Y;
Number of elements6
Number of sites59
Volume837.31755 Å3
Density3.84599 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a10.541 Å b10.420 Å c10.436 Å
α110.498° β111.174° γ110.625°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-369.83441 eV -6.26838 eV -4.22525 eV 6.10810 eV 0.00000 eV 0.03966 eV