Structure

Basic information

Pretty formulaKCd6H4C12ClO26
Full formulaK1Cd6H4C12Cl1O26
Tags
Constituent elementsC; Cd; Cl; H; K; O;
Number of elements6
Number of sites50
Volume683.46330 Å3
Density3.19045 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a10.437 Å b10.381 Å c10.461 Å
α53.376° β53.979° γ53.773°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-310.39620 eV -6.20792 eV -1.37657 eV 2.81570 eV 0.00000 eV 0.27127 eV