Detail information of Pr2P3(HO2)5 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	Pr2P3(HO2)5
Full formula	Pr8P12H20O40
Tags	Dipraseodymium tris(hydrogenphosphate(III)) hydrate
Constituent elements	H; O; P; Pr;
Number of elements	4
Number of sites	80
Volume	992.44805 Å³
Density	3.61252 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	9.751 Å	b	8.074 Å	c	13.347 Å
α	90.000°	β	109.194°	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
-535.86840 eV	-6.69836 eV	-2.48318 eV	5.66530 eV	0.00098 eV	0.01320 eV