Detail information of CrPdH12(NO)4

Structure

Basic information

Pretty formulaCrPdH12(NO)4
Full formulaCr2Pd2H24N8O8
TagsTetraamminepalladium chromate
Constituent elementsCr; H; N; O; Pd;
Number of elements5
Number of sites44
Volume418.02335 Å3
Density2.30823 g/cm3
Source Materials Project

Space group

Spacegroup Number141
Hermann MauguinI41/amd
HallI 4bw 2bw -1bw
Crystal SystemTetragonal

Lattice Parameters

a9.270 Å b9.270 Å c9.270 Å
α133.032° β133.032° γ68.604°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-240.02195 eV -5.45504 eV -0.89059 eV 2.55210 eV 0.00000 eV 0.08593 eV