Detail information of Cr2H24(IN3)3

Structure

Basic information

Pretty formulaCr2H24(IN3)3
Full formulaCr4H48I6N18
TagsTri-mue-amido-bis(triamminechromium) iodide
Constituent elementsCr; H; I; N;
Number of elements4
Number of sites76
Volume955.06338 Å3
Density2.20796 g/cm3
Source Materials Project

Space group

Spacegroup Number194
Hermann MauguinP63/mmc
Hall-P 6c 2c
Crystal SystemHexagonal

Lattice Parameters

a7.758 Å b7.758 Å c18.323 Å
α90.000° β90.000° γ120.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-394.17607 eV -5.18653 eV -0.62970 eV 1.76470 eV -12.00000 eV 0.00000 eV