Detail information of NaCa2V3(CoO6)2 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	NaCa2V3(CoO6)2
Full formula	Na4Ca8V12Co8O48
Tags
Constituent elements	Ca; Co; Na; O; V;
Number of elements	5
Number of sites	80
Volume	990.70339 Å³
Density	3.79360 g/cm³
Source	Materials Project

Space group

Spacegroup Number	142
Hermann Mauguin	I41/acd
Hall	I 4bw 2aw -1bw
Crystal System	Tetragonal

Lattice Parameters

a	10.878 Å	b	10.877 Å	c	10.878 Å
α	109.351°	β	109.714°	γ	109.352°

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Calculated Energies

Total energy	Energy per atom	Formation energy per atom	Band gap	Total magnetization	Energy above hull
-555.18962 eV	-6.93987 eV	-2.50145 eV	2.20210 eV	24.00000 eV	0.00000 eV