Detail information of Mn3Mo2H34C22N16O5

Structure

Basic information

Pretty formulaMn3Mo2H34C22N16O5
Full formulaMn6Mo4H68C44N32O10
TagsBis(tetramethylammonium) tetradecacyanotriaquatrimanganodimolybdate dihydrate
Constituent elementsC; H; Mn; Mo; N; O;
Number of elements6
Number of sites164
Volume2,033.09439 Å3
Density1.56703 g/cm3
Source Materials Project

Space group

Spacegroup Number15
Hermann MauguinC2/c
Hall-C 2yc
Crystal SystemMonoclinic

Lattice Parameters

a14.580 Å b14.580 Å c13.670 Å
α66.451° β113.549° γ128.691°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-1,047.75634 eV -6.38876 eV -0.30808 eV 0.02380 eV 34.00058 eV 0.25375 eV