Detail information of BeH8(NF2)2 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	BeH8(NF2)2
Full formula	Be4H32N8F16
Tags	Diammonium tetrafluoroberyllate
Constituent elements	Be; F; H; N;
Number of elements	4
Number of sites	60
Volume	484.57763 Å³
Density	1.65969 g/cm³
Source	Materials Project

Space group

Spacegroup Number	62
Hermann Mauguin	Pnma
Hall	-P 2ac 2n
Crystal System	Orthorhombic

Lattice Parameters

a	7.663 Å	b	5.976 Å	c	10.582 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
-303.83908 eV	-5.06399 eV	-1.64834 eV	6.48320 eV	0.00000 eV	0.01092 eV