Detail information of TiH2N2OF4 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	TiH2N2OF4
Full formula	Ti4H8N8O4F16
Tags	Diammonium oxotetrafluorotitanate
Constituent elements	F; H; N; O; Ti;
Number of elements	5
Number of sites	40
Volume	539.16162 Å³
Density	2.09294 g/cm³
Source	Materials Project

Space group

Spacegroup Number	11
Hermann Mauguin	P21/m
Hall	-P 2yb
Crystal System	Monoclinic

Lattice Parameters

a	6.247 Å	b	7.810 Å	c	11.052 Å
α	90.000°	β	89.743°	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
-208.37866 eV	-5.20947 eV	-1.18967 eV	0.00500 eV	16.18485 eV	1.08178 eV