Structure

Basic information

Pretty formulaH13C3NF4
Full formulaH52C12N4F16
TagsTrimethylammonium fluoride - hydrofluoric acid (1/3)
Constituent elementsC; F; H; N;
Number of elements4
Number of sites84
Volume771.96970 Å3
Density1.19715 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a7.739 Å b9.434 Å c10.842 Å
α102.604° β91.756° γ90.732°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-413.68707 eV -4.92485 eV -0.95210 eV 7.28400 eV 0.00130 eV 0.05901 eV