Structure

Basic information

Pretty formulaCrH12N3(OF2)3
Full formulaCr2H24N6O6F12
TagsTris(hydroxylammonium) hexafluorochromate(III)
Constituent elementsCr; F; H; N; O;
Number of elements5
Number of sites50
Volume427.31944 Å3
Density2.08364 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a6.862 Å b7.101 Å c9.534 Å
α80.231° β82.828° γ69.346°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-252.68704 eV -5.05374 eV -1.39043 eV 3.40880 eV 6.00000 eV 0.20122 eV