Detail information of ScH16I3O8 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	ScH16I3O8
Full formula	Sc4H64I12O32
Tags	Heptaaquascandium iodide hydrate
Constituent elements	H; I; O; Sc;
Number of elements	4
Number of sites	112
Volume	1,683.94875 Å³
Density	2.24748 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	13.304 Å	b	8.873 Å	c	15.318 Å
α	90.000°	β	111.377°	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
-500.27131 eV	-4.46671 eV	-1.01711 eV	2.53030 eV	0.00506 eV	0.33391 eV