Detail information of FeP3H18C6(SO)6

Structure

Basic information

Pretty formulaFeP3H18C6(SO)6
Full formulaFe2P6H36C12S12O12
TagsTris(dimethoxydithiophosphinato)iron(III)
Constituent elementsC; Fe; H; O; P; S;
Number of elements6
Number of sites80
Volume1,088.68898 Å3
Density1.60873 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.218 Å b9.218 Å c13.336 Å
α84.099° β95.901° γ104.317°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-423.74342 eV -5.29679 eV -0.65233 eV 0.16490 eV 6.00000 eV 0.22720 eV