Detail information of BaH8PtC4(NO)4

Structure

Basic information

Pretty formulaBaH8PtC4(NO)4
Full formulaBa2H16Pt2C8N8O8
TagsBarium tetracyanoplatinate(II) tetrakis(dideuteriohydrate)
Constituent elementsBa; C; H; N; O; Pt;
Number of elements6
Number of sites44
Volume551.81367 Å3
Density3.06065 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.426 Å b9.426 Å c6.622 Å
α77.257° β102.743° γ83.679°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-276.99469 eV -6.29533 eV -0.86150 eV 1.50120 eV 0.00000 eV 0.17593 eV