Detail information of PH3NF5 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	PH3NF5
Full formula	P4H12N4F20
Tags	Ammonia phosphorus(V) fluoride
Constituent elements	F; H; N; P;
Number of elements	4
Number of sites	40
Volume	396.16351 Å³
Density	2.39750 g/cm³
Source	Materials Project

Space group

Spacegroup Number	14
Hermann Mauguin	P21/c
Hall	-P 2ybc
Crystal System	Monoclinic

Lattice Parameters

a	8.663 Å	b	9.399 Å	c	4.867 Å
α	90.000°	β	91.344°	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
-204.94532 eV	-5.12363 eV	-2.10567 eV	7.06550 eV	0.00000 eV	0.00000 eV