Detail information of LiBeH5(NF2)2 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	LiBeH5(NF2)2
Full formula	Li4Be4H20N8F16
Tags	Lithium hydrazinium tetrafluoroberyllate
Constituent elements	Be; F; H; Li; N;
Number of elements	5
Number of sites	52
Volume	459.53189 Å³
Density	1.80677 g/cm³
Source	Materials Project

Space group

Spacegroup Number	33
Hermann Mauguin	Pna21
Hall	P 2c -2n
Crystal System	Orthorhombic

Lattice Parameters

a	9.926 Å	b	8.957 Å	c	5.169 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
-269.54675 eV	-5.18359 eV	-1.84326 eV	5.69240 eV	0.00000 eV	0.08098 eV