Detail information of KZnH4Br3O2 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	KZnH4Br3O2
Full formula	K4Zn4H16Br12O8
Tags	Potassium tribromozincate dihydrate - alpha
Constituent elements	Br; H; K; O; Zn;
Number of elements	5
Number of sites	44
Volume	868.24457 Å³
Density	2.90895 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	6.813 Å	b	12.681 Å	c	13.208 Å
α	90.000°	β	130.456°	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
-172.86127 eV	-3.92867 eV	-1.32151 eV	3.68050 eV	0.00602 eV	0.01686 eV