Detail information of NaCa9ScZn9(SiO3)20 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	NaCa9ScZn9(SiO3)20
Full formula	Na1Ca9Sc1Zn9Si20O60
Tags
Constituent elements	Ca; Na; O; Sc; Si; Zn;
Number of elements	6
Number of sites	100
Volume	1,146.75141 Å³
Density	3.67657 g/cm³
Source	Materials Project

Space group

Spacegroup Number	5
Hermann Mauguin	C2
Hall	C 2y
Crystal System	Monoclinic

Lattice Parameters

a	26.511 Å	b	6.721 Å	c	6.721 Å
α	83.934°	β	78.418°	γ	78.418°

Note: if the model can't be displayed, try Firefox or Chrome.

Style

Calculated Energies

Total energy	Energy per atom	Formation energy per atom	Band gap	Total magnetization	Energy above hull
-706.75147 eV	-7.06752 eV	-3.07169 eV	4.09470 eV	0.00003 eV	0.03924 eV