Detail information of K6BiH3(Cl2F)4

Structure

Basic information

Pretty formulaK6BiH3(Cl2F)4
Full formulaK12Bi2H6Cl16F8
TagsHexapotassium hexachlorobismuthate dichloride trihydrogentetrafluoride
Constituent elementsBi; Cl; F; H; K;
Number of elements5
Number of sites44
Volume1,087.49047 Å3
Density2.46208 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.253 Å b9.253 Å c14.668 Å
α90.000° β90.000° γ120.001°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-165.93736 eV -3.77130 eV -2.13911 eV 4.16980 eV 0.00292 eV 0.00000 eV