Structure

Basic information

Pretty formulaBa4Y2Cu4W2O17
Full formulaBa4Y2Cu4W2O17
Tags
Constituent elementsBa; Cu; O; W; Y;
Number of elements5
Number of sites29
Volume409.69746 Å3
Density6.56995 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a6.037 Å b17.827 Å c15.328 Å
α18.543° β51.422° γ54.528°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-195.49590 eV -6.74124 eV -2.38882 eV 0.00000 eV 0.02851 eV 0.14742 eV