Detail information of BeH4NF3 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	BeH4NF3
Full formula	Be4H16N4F12
Tags	Ammonium trifluoroberyllate - Phase II, HT
Constituent elements	Be; F; H; N;
Number of elements	4
Number of sites	36
Volume	367.18586 Å³
Density	1.52034 g/cm³
Source	Materials Project

Space group

Spacegroup Number	19
Hermann Mauguin	P212121
Hall	P 2ac 2ab
Crystal System	Orthorhombic

Lattice Parameters

a	6.018 Å	b	4.371 Å	c	13.958 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
-184.04889 eV	-5.11247 eV	-1.90106 eV	6.16750 eV	0.00044 eV	0.07743 eV