Difference between revisions of "Software and resources"
From mn.kjemi.vaspwiki
(Created page with "=Structure and crystallography= ==International Tables for Crystallography== [https://it.iucr.org it.iucr.org] ==Shannon Ionic Radii== [http://abulafia.mt.ic.ac.uk/shannon/pt...") |
m |
||
| Line 1: | Line 1: | ||
| − | =Structure and crystallography= | + | ==Structure and crystallography== |
| − | ==International Tables for Crystallography== | + | ===ICSD database=== |
| + | [https://icsd.fiz-karlsruhe.de/ icsd.fiz-karlsruhe.de/] | ||
| + | |||
| + | Automatic login through EZproxy ([https://www.ub.uio.no/english/using/remote-access.html www.ub.uio.no/english/using/remote-access.html] | ||
| + | |||
| + | ===Materials project=== | ||
| + | [https://www.materialsproject.org 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 [https://www.uio.no/english/services/it/store-collaborate/gsuite/ www.uio.no/english/services/it/store-collaborate/gsuite/]). | ||
| + | |||
| + | ===International Tables for Crystallography=== | ||
[https://it.iucr.org it.iucr.org] | [https://it.iucr.org it.iucr.org] | ||
| − | ==Shannon Ionic Radii== | + | ===Shannon Ionic Radii=== |
[http://abulafia.mt.ic.ac.uk/shannon/ptable.php abulafia.mt.ic.ac.uk/shannon/] | [http://abulafia.mt.ic.ac.uk/shannon/ptable.php 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 | R.D. Shannon, Revised Effective Ionic Radii and Systematic Studies of Interatomic Distances in Halides and Chalcogenides, Acta Cryst. 1976 (A32) 751-767 | ||
| − | =Visualization= | + | ==Visualization== |
| − | ==VESTA== | + | ===VESTA=== |
| − | ==Avogadro== | + | ===Avogadro=== |
Revision as of 21:28, 26 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
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
