Detail information of PH11C(NO2)2 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	PH11C(NO2)2
Full formula	P4H44C4N8O16
Tags	Ethlyenediammonium hydrogenphosphate(V) - beta
Constituent elements	C; H; N; O; P;
Number of elements	5
Number of sites	76
Volume	690.08184 Å³
Density	1.40607 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	10.368 Å	b	8.230 Å	c	8.093 Å
α	90.000°	β	92.249°	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
-406.19269 eV	-5.34464 eV	-0.97066 eV	0.24760 eV	3.96254 eV	0.20523 eV