Detail information of BaRe2(H2O3)4 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	BaRe2(H2O3)4
Full formula	Ba4Re8H32O48
Tags	Barium bis(rhenate(VII)) tetrahydrate
Constituent elements	Ba; H; O; Re;
Number of elements	4
Number of sites	92
Volume	1,184.63803 Å³
Density	3.97977 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	7.499 Å	b	12.652 Å	c	12.491 Å
α	90.000°	β	91.523°	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
-591.56979 eV	-6.43011 eV	-1.92878 eV	4.02260 eV	0.00000 eV	0.01201 eV