Detail information of CoMo8H36C8(NO16)2

Structure

Basic information

Pretty formulaCoMo8H36C8(NO16)2
Full formulaCo2Mo16H72C16N4O64
TagsBis(tetramethylammonium) hexaaquacobalt betq-octamolybdate
Constituent elementsC; Co; H; Mo; N; O;
Number of elements6
Number of sites174
Volume1,908.71891 Å3
Density2.60787 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a10.695 Å b10.695 Å c17.023 Å
α84.840° β95.160° γ99.174°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-1,020.22736 eV -5.86338 eV -1.20028 eV 2.57020 eV 2.01732 eV 0.20074 eV