Detail information of K2Pr2H3(S2O9)2 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	K2Pr2H3(S2O9)2
Full formula	K8Pr8H12S16O72
Tags	Potassium praseodymium sulfate hydrate
Constituent elements	H; K; O; Pr; S;
Number of elements	5
Number of sites	116
Volume	1,629.08631 Å³
Density	3.17732 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	11.016 Å	b	15.650 Å	c	10.189 Å
α	90.000°	β	111.970°	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
-722.59559 eV	-6.22927 eV	-2.29191 eV	5.31740 eV	-3.62738 eV	0.04011 eV