Detail information of CrH9(CN2)3

Structure

Basic information

Pretty formulaCrH9(CN2)3
Full formulaCr2H18C6N12
TagsHexamminedichromium hexacyanide
Constituent elementsC; Cr; H; N;
Number of elements4
Number of sites38
Volume539.34178 Å3
Density1.11540 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a12.637 Å b5.886 Å c16.092 Å
α62.562° β149.451° γ112.084°

Note: if the model can't be displayed, try Firefox or Chrome.

Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-227.83238 eV -5.99559 eV 0.01428 eV 0.00000 eV 4.00606 eV 0.41183 eV