Detail information of Na3CaSc3Zn(SiO3)8 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	Na3CaSc3Zn(SiO3)8
Full formula	Na6Ca2Sc6Zn2Si16O48
Tags
Constituent elements	Ca; Na; O; Sc; Si; Zn;
Number of elements	6
Number of sites	80
Volume	1,038.14183 Å³
Density	2.93672 g/cm³
Source	Materials Project

Space group

Spacegroup Number	13
Hermann Mauguin	P2/c
Hall	-P 2yc
Crystal System	Monoclinic

Lattice Parameters

a	5.548 Å	b	28.334 Å	c	10.687 Å
α	41.031°	β	70.265°	γ	75.243°

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Style

Calculated Energies

Total energy	Energy per atom	Formation energy per atom	Band gap	Total magnetization	Energy above hull
-585.40488 eV	-7.31756 eV	-3.03752 eV	3.74530 eV	0.00000 eV	0.23661 eV