Detail information of B10H13CSN

Structure

Basic information

Pretty formulaB10H13CSN
Full formulaB40H52C4S4N4
Tags6-Isothiocyanodecaborane - room-temperature phase
Constituent elementsB; C; H; N; S;
Number of elements5
Number of sites104
Volume1,130.70970 Å3
Density1.05324 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a7.951 Å b15.139 Å c9.552 Å
α90.000° β100.474° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-537.59585 eV -5.16919 eV -0.16120 eV 2.53860 eV 0.00063 eV 0.16252 eV