Detail information of BaH8PtC4(NO)4 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	BaH8PtC4(NO)4
Full formula	Ba2H16Pt2C8N8O8
Tags	Barium tetracyanoplatinate tetrahydrate
Constituent elements	Ba; C; H; N; O; Pt;
Number of elements	6
Number of sites	44
Volume	548.68544 Å³
Density	3.07810 g/cm³
Source	Materials Project

Space group

Spacegroup Number	15
Hermann Mauguin	C2/c
Hall	-C 2yc
Crystal System	Monoclinic

Lattice Parameters

a	9.323 Å	b	9.323 Å	c	6.679 Å
α	78.308°	β	101.692°	γ	83.023°

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Style

Calculated Energies

Total energy	Energy per atom	Formation energy per atom	Band gap	Total magnetization	Energy above hull
-278.41182 eV	-6.32754 eV	-0.89371 eV	1.63780 eV	0.00000 eV	0.14373 eV