Detail information of ReH22C4S4N8Cl8O3

Structure

Basic information

Pretty formulaReH22C4S4N8Cl8O3
Full formulaRe4H88C16S16N32Cl32O12
TagsBis(dithiobisformamidinium)aquapentachlororhenate(IV) trichloride dihydrate
Constituent elementsC; Cl; H; N; O; Re; S;
Number of elements7
Number of sites200
Volume2,746.26248 Å3
Density2.00349 g/cm3
Source Materials Project

Space group

Spacegroup Number62
Hermann MauguinPnma
Hall-P 2ac 2n
Crystal SystemOrthorhombic

Lattice Parameters

a17.795 Å b9.072 Å c17.011 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-1,042.57149 eV -5.21286 eV -0.74323 eV 1.34860 eV 12.00564 eV 0.13370 eV