Detail information of Na3B5(HO5)2 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	Na3B5(HO5)2
Full formula	Na12B20H8O40
Tags	Sodium pentaborate hydrate
Constituent elements	B; H; Na; O;
Number of elements	4
Number of sites	80
Volume	776.56309 Å³
Density	2.43798 g/cm³
Source	Materials Project

Space group

Spacegroup Number	29
Hermann Mauguin	Pca21
Hall	P 2c -2ac
Crystal System	Orthorhombic

Lattice Parameters

a	11.339 Å	b	6.099 Å	c	11.230 Å
α	90.000°	β	90.000°	γ	90.000°

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Calculated Energies

Total energy	Energy per atom	Formation energy per atom	Band gap	Total magnetization	Energy above hull
-547.43154 eV	-6.84289 eV	-2.53574 eV	4.65810 eV	0.00000 eV	0.00364 eV