Detail information of CrSb2H12(C2O)4

Structure

Basic information

Pretty formulaCrSb2H12(C2O)4
Full formulaCr2Sb4H24C16O8
TagsBis(tetracarbonylchromium) tetrakis(dimethylantimonate);
Bis(mue-tetramethyldistibinediyl)bis(tetrac
Constituent elementsC; Cr; H; O; Sb;
Number of elements5
Number of sites54
Volume701.55660 Å3
Density2.21401 g/cm3
Source Materials Project

Space group

Spacegroup Number12
Hermann MauguinC2/m
Hall-C 2y
Crystal SystemMonoclinic

Lattice Parameters

a8.800 Å b8.800 Å c10.339 Å
α69.417° β110.583° γ98.294°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-312.24730 eV -5.78236 eV -0.39392 eV 2.28930 eV 0.00000 eV 0.31953 eV