Detail information of LiPH4NO3F | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	LiPH4NO3F
Full formula	Li4P4H16N4O12F4
Tags	Lithium ammonium fluorotrioxophosphate(V)
Constituent elements	F; H; Li; N; O; P;
Number of elements	6
Number of sites	44
Volume	407.11975 Å³
Density	2.00593 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	5.526 Å	b	5.071 Å	c	14.528 Å
α	90.000°	β	90.144°	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
-251.59918 eV	-5.71816 eV	-1.86855 eV	5.10410 eV	0.00000 eV	0.01381 eV