Structure

Basic information

Pretty formulaTiH10N3F5
Full formulaTi2H20N6F10
Tags
Constituent elementsF; H; N; Ti;
Number of elements4
Number of sites38
Volume478.92133 Å3
Density1.35194 g/cm3
Source Materials Project

Space group

Spacegroup Number9
Hermann MauguinCc
HallC -2yc
Crystal SystemMonoclinic

Lattice Parameters

a6.958 Å b6.958 Å c12.413 Å
α67.663° β67.663° γ62.898°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-190.25750 eV -5.00678 eV -1.25648 eV 0.95330 eV 4.00000 eV 0.37018 eV