Structure

Basic information

Pretty formulaYb6Ba6Al13Si11N29O13
Full formulaYb6Ba6Al13Si11N29O13
Tags
Constituent elementsAl; Ba; N; O; Si; Yb;
Number of elements6
Number of sites78
Volume1,023.72451 Å3
Density5.08691 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a6.361 Å b6.278 Å c29.543 Å
α89.746° β90.085° γ119.812°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-551.47215 eV -7.07016 eV -1.75234 eV 0.07510 eV 2.00000 eV 0.32394 eV