Difference between revisions of "Software and resources"
From mn.kjemi.vaspwiki
m |
m |
||
Line 14: | Line 14: | ||
===International Tables for Crystallography=== | ===International Tables for Crystallography=== | ||
[https://it.iucr.org it.iucr.org] | [https://it.iucr.org it.iucr.org] | ||
+ | |||
+ | Complete overview of space-group symmetry and more. | ||
===Shannon Ionic Radii=== | ===Shannon Ionic Radii=== | ||
Line 22: | Line 24: | ||
==Visualization== | ==Visualization== | ||
===VESTA=== | ===VESTA=== | ||
+ | [https://jp-minerals.org/vesta/en/ jp-minerals.org/vesta/en/] | ||
+ | |||
+ | |||
===Avogadro=== | ===Avogadro=== |
Revision as of 08:30, 27 September 2021
Contents
Structure and crystallography
ICSD database
Automatic login through EZproxy (www.ub.uio.no/english/using/remote-access.html
Materials project
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
Complete overview of space-group symmetry and more.
Shannon Ionic Radii
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