Detail information of H7IN2 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	H7IN2
Full formula	H28I4N8
Tags	Trideuterioamminetetradeuterioammonium iodide - III, LT
Constituent elements	H; I; N;
Number of elements	3
Number of sites	40
Volume	528.73142 Å³
Density	2.03478 g/cm³
Source	Materials Project

Space group

Spacegroup Number	60
Hermann Mauguin	Pbcn
Hall	-P 2n 2ab
Crystal System	Orthorhombic

Lattice Parameters

a	7.372 Å	b	7.358 Å	c	9.747 Å
α	90.000°	β	90.000°	γ	90.000°

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Style

Calculated Energies

Total energy	Energy per atom	Formation energy per atom	Band gap	Total magnetization	Energy above hull
-184.46934 eV	-4.61173 eV	-0.60154 eV	3.69260 eV	0.00000 eV	0.00000 eV