Difference between revisions of "Software and resources"

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=Structure and resources=
 
==Structure and crystallography==
 
==Structure and crystallography==
 
===ICSD database===
 
===ICSD database===

Revision as of 08:30, 27 September 2021

Structure and resources

Structure and crystallography

ICSD database

icsd.fiz-karlsruhe.de/

Automatic login through EZproxy (www.ub.uio.no/english/using/remote-access.html

Materials project

www.materialsproject.org

Contains structures optimized by DFT that can be downloaded in several formats including .cif or POSCAR. Choose 'Conventional Standard' CIF.

Login with a Google account (available with UiO username www.uio.no/english/services/it/store-collaborate/gsuite/).

International Tables for Crystallography

it.iucr.org

Complete overview of space-group symmetry and more.

Shannon Ionic Radii

abulafia.mt.ic.ac.uk/shannon/

R.D. Shannon, Revised Effective Ionic Radii and Systematic Studies of Interatomic Distances in Halides and Chalcogenides, Acta Cryst. 1976 (A32) 751-767

Visualization

VESTA

jp-minerals.org/vesta/en/


Avogadro