[ase-users] Download all gif from .db database

[Ask Hjorth Larsen]

Dear Hady,

Am Mi., 3. März 2021 um 21:48 Uhr schrieb Hady Sabri via ase-users
<ase-users at listserv.fysik.dtu.dk>:
>
> Hello,
>
> I hope you are doing well; I am sending this email in order to get some support for using ase.db in order to download all cif files contained in a .db file; would you please help me do so?
>
> I am particularly referencing the following database : https://cmr.fysik.dtu.dk/cubic_perovskites/cubic_perovskites.html titled ‘cubic_perovskites.db’ ; I currently need these perovskite cif files for my undergraduate thesis research project under the guidance of Dr. Gilles Peslherbe at Concordia University’s CERMM (Centre for Research in Molecular Modelling) which concerns the use of machine learning in order to accelerate new materials design.
>
> Thank you so much for your time.

ASE .db files does not contain any CIFs or other files.

You can use the ase.db framework to extract systems as Atoms objects
and save those as CIF if you want.

Best regards
Ask

>
> Best,
> Hady Sabri
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