Detail information of Na3B5H4O11 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	Na3B5H4O11
Full formula	Na24B40H32O88
Tags	Trisodium octaoxodihydroxopentaborate hydrate
Constituent elements	B; H; Na; O;
Number of elements	4
Number of sites	184
Volume	1,804.25961 Å³
Density	2.23128 g/cm³
Source	Materials Project

Space group

Spacegroup Number	61
Hermann Mauguin	Pbca
Hall	-P 2ac 2ab
Crystal System	Orthorhombic

Lattice Parameters

a	8.881 Å	b	18.507 Å	c	10.978 Å
α	90.000°	β	90.000°	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
-1,213.60457 eV	-6.59568 eV	-2.38456 eV	5.03420 eV	0.00000 eV	0.00545 eV