Detail information of Mo3H9I3(ClO)4

Structure

Basic information

Pretty formulaMo3H9I3(ClO)4
Full formulaMo12H36I12Cl16O16
TagsBis(oxonium) octa-mue-chloro-octahedro-hexakis(iodo- molybdate) hexahydrate
Constituent elementsCl; H; I; Mo; O;
Number of elements5
Number of sites92
Volume1,863.23786 Å3
Density3.14924 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a18.593 Å b10.240 Å c9.916 Å
α90.000° β99.249° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-400.00476 eV -4.34788 eV -0.97151 eV 0.11400 eV 0.00000 eV 0.10493 eV