Structure

Basic information

Pretty formulaTl3SnSe4
Full formulaTl12Sn4Se16
TagsThallium tetraselenostannate
Constituent elementsSe; Sn; Tl;
Number of elements3
Number of sites32
Volume1,064.32494 Å3
Density6.53840 g/cm3
Source Materials Project

Space group

Spacegroup Number14
Hermann MauguinP21/c
Hall-P 2ybc
Crystal SystemMonoclinic

Lattice Parameters

a8.369 Å b8.425 Å c15.293 Å
α90.000° β99.231° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-110.43892 eV -3.45122 eV -0.31776 eV 0.00000 eV 0.00003 eV 0.05226 eV