Detail information of Na3B3H2O7 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	Na3B3H2O7
Full formula	Na12B12H8O28
Tags	Trisodium cyclo-pentaoxodihydroxotriborate
Constituent elements	B; H; Na; O;
Number of elements	4
Number of sites	60
Volume	630.21569 Å³
Density	2.27036 g/cm³
Source	Materials Project

Space group

Spacegroup Number	62
Hermann Mauguin	Pnma
Hall	-P 2ac 2n
Crystal System	Orthorhombic

Lattice Parameters

a	8.947 Å	b	7.255 Å	c	9.709 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
-384.03341 eV	-6.40056 eV	-2.39481 eV	4.54390 eV	0.00000 eV	0.00000 eV