Detail information of TlCuHCO4

Structure

Basic information

Pretty formulaTlCuHCO4
Full formulaTl6Cu6H6C6O24
TagsThallium copper hydroxide carbonate
Constituent elementsC; Cu; H; O; Tl;
Number of elements5
Number of sites48
Volume657.13518 Å3
Density5.22993 g/cm3
Source Materials Project

Space group

Spacegroup Number176
Hermann MauguinP63/m
Hall-P 6c
Crystal SystemHexagonal

Lattice Parameters

a11.152 Å b11.152 Å c6.101 Å
α90.000° β90.000° γ120.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-281.10444 eV -5.85634 eV -1.37338 eV 0.38270 eV 6.00000 eV 0.03512 eV