Structure

Basic information

Pretty formulaNaCa2LuSi2O7F2
Full formulaNa4Ca8Lu4Si8O28F8
Tags
Constituent elementsCa; F; Lu; Na; O; Si;
Number of elements6
Number of sites60
Volume840.00273 Å3
Density3.82932 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a9.278 Å b10.196 Å c9.430 Å
α84.330° β108.438° γ87.923°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-394.40447 eV -6.57341 eV -3.02935 eV 1.20630 eV 0.00000 eV 0.56078 eV