Detail information of FeP2H24C8S4NClO4

Structure

Basic information

Pretty formulaFeP2H24C8S4NClO4
Full formulaFe2P4H48C16S8N2Cl2O8
TagsTetramethylammonium chlorobis(dimethoxydithiophosphinato)ferrate(II)
Constituent elementsC; Cl; Fe; H; N; O; P; S;
Number of elements8
Number of sites90
Volume1,082.17707 Å3
Density1.47241 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a7.361 Å b8.796 Å c16.852 Å
α84.243° β85.527° γ90.412°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-472.03479 eV -5.24483 eV -0.56157 eV 3.19140 eV 8.00982 eV 0.09709 eV