Detail information of Ba3As2H14S8O7

Structure

Basic information

Pretty formulaBa3As2H14S8O7
Full formulaBa12As8H56S32O28
TagsTribarium diarsenic(V) sulfide heptahydrate
Constituent elementsAs; Ba; H; O; S;
Number of elements5
Number of sites136
Volume2,104.00392 Å3
Density2.98155 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a12.755 Å b12.906 Å c12.912 Å
α90.000° β98.165° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-663.77764 eV -4.88072 eV -1.25988 eV 1.97660 eV 0.00000 eV 0.01377 eV