Detail information of Cs3B6H12Se4Br

Structure

Basic information

Pretty formulaCs3B6H12Se4Br
Full formulaCs6B12H24Se8Br2
TagsTricesium closo-tetra-mue-selenido-hexakis(dihydroborate) bromide
Constituent elementsB; Br; Cs; H; Se;
Number of elements5
Number of sites52
Volume949.90191 Å3
Density3.04669 g/cm3
Source Materials Project

Space group

Spacegroup Number186
Hermann MauguinP63mc
HallP 6c -2c
Crystal SystemHexagonal

Lattice Parameters

a11.015 Å b11.015 Å c9.040 Å
α90.000° β90.000° γ120.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-220.45760 eV -4.23957 eV -0.50494 eV 4.49330 eV 0.00011 eV 0.00000 eV