Detail information of H2C2S3N2(OF)6 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	H2C2S3N2(OF)6
Full formula	H4C4S6N4O12F12
Tags	Bis(trifluoromethylsulfamido) sulfone
Constituent elements	C; F; H; N; O; S;
Number of elements	6
Number of sites	42
Volume	549.11692 Å³
Density	2.17870 g/cm³
Source	Materials Project

Space group

Spacegroup Number	15
Hermann Mauguin	C2/c
Hall	-C 2yc
Crystal System	Monoclinic

Lattice Parameters

a	5.394 Å	b	5.394 Å	c	21.267 Å
α	85.666°	β	94.334°	γ	117.018°

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Calculated Energies

Total energy	Energy per atom	Formation energy per atom	Band gap	Total magnetization	Energy above hull
-232.97531 eV	-5.54703 eV	-1.39743 eV	5.89830 eV	0.00112 eV	0.24875 eV