Detail information of H8AuC2S2BrN4

Structure

Basic information

Pretty formulaH8AuC2S2BrN4
Full formulaH16Au2C4S4Br2N8
TagsBis(thiourea)gold bromide
Constituent elementsAu; Br; C; H; N; S;
Number of elements6
Number of sites36
Volume501.57471 Å3
Density2.84128 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.325 Å b9.325 Å c6.959 Å
α84.360° β95.640° γ57.849°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-193.56025 eV -5.37667 eV -0.41356 eV 3.14060 eV 0.00000 eV 0.05860 eV