Structure

Basic information

Pretty formulaNaYF4
Full formulaNa3Y3F12
Tags
Constituent elementsF; Na; Y;
Number of elements3
Number of sites18
Volume226.86534 Å3
Density4.12576 g/cm3
Source Materials Project

Space group

Spacegroup Number143
Hermann MauguinP3
HallP 3
Crystal SystemHexagonal

Lattice Parameters

a6.077 Å b6.077 Å c7.093 Å
α90.000° β90.000° γ120.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-111.99295 eV -6.22183 eV -3.97795 eV 7.34010 eV 0.00001 eV 0.01360 eV