Detail information of CaH16C4(NO)10 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	CaH16C4(NO)10
Full formula	Ca2H32C8N20O20
Tags	Calcium nitrate tetraurea
Constituent elements	C; Ca; H; N; O;
Number of elements	5
Number of sites	82
Volume	847.45890 Å³
Density	1.58443 g/cm³
Source	Materials Project

Space group

Spacegroup Number	14
Hermann Mauguin	P21/c
Hall	-P 2ybc
Crystal System	Monoclinic

Lattice Parameters

a	9.321 Å	b	12.798 Å	c	7.748 Å
α	90.000°	β	113.515°	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
-505.85076 eV	-6.16891 eV	-0.98371 eV	3.35340 eV	0.00000 eV	0.14423 eV