Detail information of Na5Ca2Ce3Ti8Nb2O30 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	Na5Ca2Ce3Ti8Nb2O30
Full formula	Na5Ca2Ce3Ti8Nb2O30
Tags
Constituent elements	Ca; Ce; Na; Nb; O; Ti;
Number of elements	6
Number of sites	50
Volume	608.84949 Å³
Density	4.53879 g/cm³
Source	Materials Project

Space group

Spacegroup Number	99
Hermann Mauguin	P4mm
Hall	P 4 -2
Crystal System	Tetragonal

Lattice Parameters

a	3.946 Å	b	3.946 Å	c	39.099 Å
α	90.027°	β	90.004°	γ	90.000°

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Style

Calculated Energies

Total energy	Energy per atom	Formation energy per atom	Band gap	Total magnetization	Energy above hull
-403.78870 eV	-8.07577 eV	-3.29984 eV	0.00060 eV	1.57785 eV	0.03899 eV