Detail information of LiBH2OF4 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	LiBH2OF4
Full formula	Li8B8H16O8F32
Tags	Lithium tetrafluoro borate water
Constituent elements	B; F; H; Li; O;
Number of elements	5
Number of sites	72
Volume	720.79004 Å³
Density	2.05978 g/cm³
Source	Materials Project

Space group

Spacegroup Number	52
Hermann Mauguin	Pnna
Hall	-P 2a 2bc
Crystal System	Orthorhombic

Lattice Parameters

a	5.183 Å	b	10.329 Å	c	13.465 Å
α	90.000°	β	90.000°	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
-389.41340 eV	-5.40852 eV	-2.63271 eV	7.12900 eV	0.00000 eV	0.01213 eV