Structure

Basic information

Pretty formulaNa2Ca29ZrSi16(O7F2)8
Full formulaNa2Ca29Zr1Si16O56F16
Tags
Constituent elementsCa; F; Na; O; Si; Zr;
Number of elements6
Number of sites120
Volume1,770.09085 Å3
Density2.76627 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a7.750 Å b11.381 Å c20.966 Å
α86.107° β106.182° γ88.573°

Note: if the model can't be displayed, try Firefox or Chrome.

Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-797.07827 eV -6.64232 eV -3.17788 eV 2.30140 eV -0.00013 eV 0.43749 eV