Detail information of ReH12C2S2N4Cl5O3

Structure

Basic information

Pretty formulaReH12C2S2N4Cl5O3
Full formulaRe4H48C8S8N16Cl20O12
TagsDithio-bis(formamidinium) trans-aqua tetrachlorooxorhenate(V) chloride hydrate
Constituent elementsC; Cl; H; N; O; Re; S;
Number of elements7
Number of sites116
Volume1,612.90764 Å3
Density2.33804 g/cm3
Source Materials Project

Space group

Spacegroup Number14
Hermann MauguinP21/c
Hall-P 2ybc
Crystal SystemMonoclinic

Lattice Parameters

a13.819 Å b7.177 Å c16.615 Å
α90.000° β101.821° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-613.55930 eV -5.28930 eV -0.84772 eV 0.64340 eV 0.00221 eV 0.14607 eV