Structure

Basic information

Pretty formulaH3PbS2N3
Full formulaH12Pb4S8N12
TagsLead nitride sulfide ammonia (1/2/2/1)
Constituent elementsH; N; Pb; S;
Number of elements4
Number of sites36
Volume615.17444 Å3
Density3.41595 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a5.897 Å b16.723 Å c6.240 Å
α90.000° β91.485° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-189.13221 eV -5.25367 eV -0.19450 eV 1.90360 eV 0.00057 eV 0.24330 eV