Detail information of H12C4N2O9 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	H12C4N2O9
Full formula	H48C16N8O36
Tags	Ammonium hydrogen oxalate hemihydrate
Constituent elements	C; H; N; O;
Number of elements	4
Number of sites	108
Volume	988.26124 Å³
Density	1.56027 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	11.327 Å	b	12.495 Å	c	6.983 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
-650.22858 eV	-6.02064 eV	-1.21386 eV	3.22450 eV	0.00000 eV	0.06035 eV