Detail information of K4Mo3H4O17

Structure

Basic information

Pretty formulaK4Mo3H4O17
Full formulaK8Mo6H8O34
TagsTetrapotassium heptaoxotetraperoxotrimolybdate dihydrate
Constituent elementsH; K; Mo; O;
Number of elements4
Number of sites56
Volume832.95886 Å3
Density2.87164 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a8.659 Å b12.477 Å c8.610 Å
α104.414° β103.790° γ103.220°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-319.83699 eV -5.71138 eV -1.73589 eV 2.44220 eV 0.00031 eV 0.00976 eV