Detail information of BH10C2N5O3 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	BH10C2N5O3
Full formula	B4H40C8N20O12
Tags	Biguanidoboron dihydroxide hydrate
Constituent elements	B; C; H; N; O;
Number of elements	5
Number of sites	84
Volume	737.16723 Å³
Density	1.46818 g/cm³
Source	Materials Project

Space group

Spacegroup Number	19
Hermann Mauguin	P212121
Hall	P 2ac 2ab
Crystal System	Orthorhombic

Lattice Parameters

a	6.966 Å	b	9.638 Å	c	10.980 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
-518.95622 eV	-6.17805 eV	-0.94048 eV	4.53770 eV	0.00140 eV	0.00873 eV