Detail information of TiH14(OF)6 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	TiH14(OF)6
Full formula	Ti2H28O12F12
Tags	Aquaoxonium hexafluorotitanate dihydrate
Constituent elements	F; H; O; Ti;
Number of elements	4
Number of sites	54
Volume	626.32495 Å³
Density	1.44209 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	6.087 Å	b	15.696 Å	c	6.783 Å
α	90.000°	β	104.905°	γ	90.000°

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Calculated Energies

Total energy	Energy per atom	Formation energy per atom	Band gap	Total magnetization	Energy above hull
-233.08451 eV	-4.31638 eV	-1.08760 eV	1.59890 eV	0.00000 eV	0.82450 eV