Detail information of H8AuC2S2N4ClO4

Structure

Basic information

Pretty formulaH8AuC2S2N4ClO4
Full formulaH32Au4C8S8N16Cl4O16
TagsBis(thiourea)gold chlorate(VII)
Constituent elementsAu; C; Cl; H; N; O; S;
Number of elements7
Number of sites88
Volume1,117.64430 Å3
Density2.66638 g/cm3
Source Materials Project

Space group

Spacegroup Number54
Hermann MauguinPcca
Hall-P 2a 2ac
Crystal SystemOrthorhombic

Lattice Parameters

a18.128 Å b8.458 Å c7.289 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-467.36188 eV -5.31093 eV -0.49750 eV 3.32840 eV 0.00000 eV 0.45349 eV