Structure

Basic information

Pretty formulaNa9Zr8Si4(P4O23)2
Full formulaNa9Zr8Si4P8O46
Tags
Constituent elementsNa; O; P; Si; Zr;
Number of elements5
Number of sites75
Volume1,051.96681 Å3
Density3.20880 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a9.674 Å b9.538 Å c17.698 Å
α55.687° β56.137° γ56.661°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-559.60545 eV -7.46141 eV -2.92969 eV 1.35890 eV 1.00000 eV 0.19728 eV