Structure

Basic information

Pretty formulaScH16I3O8
Full formulaSc4H64I12O32
TagsHeptaaquascandium iodide hydrate
Constituent elementsH; I; O; Sc;
Number of elements4
Number of sites112
Volume1,683.94875 Å3
Density2.24748 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a13.304 Å b8.873 Å c15.318 Å
α90.000° β111.377° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-500.27131 eV -4.46671 eV -1.01711 eV 2.53030 eV 0.00506 eV 0.33391 eV
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