Structure

Basic information

Pretty formulaNa9Zr8Si4(PO6)8
Full formulaNa9Zr8Si4P8O48
Tags
Constituent elementsNa; O; P; Si; Zr;
Number of elements5
Number of sites77
Volume1,116.68724 Å3
Density3.07041 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a9.358 Å b9.399 Å c18.723 Å
α57.966° β58.663° γ58.009°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-574.59878 eV -7.46232 eV -2.93836 eV 1.38670 eV 1.00000 eV 0.21478 eV