Detail information of B10H13CSN | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	B10H13CSN
Full formula	B40H52C4S4N4
Tags	6-Isothiocyanodecaborane - low-temperature phase
Constituent elements	B; C; H; N; S;
Number of elements	5
Number of sites	104
Volume	1,157.97277 Å³
Density	1.02844 g/cm³
Source	Materials Project

Space group

Spacegroup Number	14
Hermann Mauguin	P21/c
Hall	-P 2ybc
Crystal System	Monoclinic

Lattice Parameters

a	7.470 Å	b	14.997 Å	c	10.709 Å
α	90.000°	β	105.164°	γ	90.000°

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Style

Calculated Energies

Total energy	Energy per atom	Formation energy per atom	Band gap	Total magnetization	Energy above hull
-537.63503 eV	-5.16957 eV	-0.16158 eV	2.92490 eV	0.00065 eV	0.16215 eV