Structure

Basic information

Pretty formulaH2Ru6C18SO20
Full formulaH4Ru12C36S2O40
Tagsmu 4 sulfur di mu hydroxo di mu carbonyl 16 carbonyl hexaruthenium
Constituent elementsC; H; O; Ru; S;
Number of elements5
Number of sites94
Volume1,529.85376 Å3
Density2.55440 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a12.405 Å b14.444 Å c9.689 Å
α104.997° β109.686° γ71.810°

Note: if the model can't be displayed, try Firefox or Chrome.

Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-728.33626 eV -7.74826 eV -1.00503 eV 1.19520 eV 0.00169 eV 0.20005 eV