Detail information of Ba14Pd3Ir8O33

Structure

Basic information

Pretty formulaBa14Pd3Ir8O33
Full formulaBa42Pd9Ir24O99
TagsBarium palladium iridium oxide (14/3/8/33)
Constituent elementsBa; Ir; O; Pd;
Number of elements4
Number of sites174
Volume2,798.80361 Å3
Density7.66706 g/cm3
Source Materials Project

Space group

Spacegroup Number5
Hermann MauguinC2
HallC 2y
Crystal SystemMonoclinic

Lattice Parameters

a10.283 Å b10.273 Å c30.583 Å
α90.000° β89.979° γ119.966°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-1,129.40399 eV -6.49083 eV -2.12664 eV 0.00000 eV 11.33069 eV 0.00000 eV