---
name: "oqmd2cif"
section: "1"
platform: "linux"
package: "cod-tools"
version: "3.11.0+dfsg-1"
release: "Debian 13 (Trixie)"
platforms: ["linux"]
url: "https://new.carta.tech/oqmd2cif"
---

# oqmd2cif(1)

retrieve structures from the Open Quantum Materials Database and write them out in CIF format.

## NAME

oqmd2cif - retrieve structures from the Open Quantum Materials Database and write them out in CIF format.

## SYNOPSIS

oqmd2cif --options structure1\_id structure\*\_id

## DESCRIPTION

Retrieve structures from the Open Quantum Materials Database and write them out in CIF format.

## OPTIONS

\-L, --limit 10, --limit 1000,10\
                   Add the limit clause to the structure query statement\
                   (default: all structures are output from the database).

\-L-, --no-limit\
                   Remove any previously set query limits.

\-F, --float-format "%15.12f"\
                   Specify format to print out floating point numbers.

\-A, --atom-format "%15.12f"\
                   Specify format to print out floating point numbers\
                   for unit cell parameters.

\-C, --cell-format "%15.12f"\
                   Specify format to print out floating point numbers\
                   for atomic coordinates.

\--platform 'SQLite'\
                   Use the SQL database platform 'SQLite' to query\
                   structures (default: 'mysql').

\-d, --database  cod\
                   Use database "cod" to query for structures.

\-h, --host   www.crystallography.net

\-s, --server www.crystallography.net\
                   Query COD database on the host 'www.crystallography.net'.

\-l, --localhost\
                   Use database server on the localhost to query the COD\
                   database.

\-p, --port 3306\
                   Use the specified port to query structures\
                   (default: 3306).

\-t, --table  data\
                   Use SQL table "data" to query for structures.

\-u, --user reader\
                   Use user name "reader" to access the COD database.\
                   This user should have at least the SELECT privilege,\
                   i.e. should be able to read the COD database, without\
                   supplying a password.

\--password\
                   Use the specified password to connect (default: '').

\--debug, --no-debug\
                   Switch on or off debug printouts.

\--help, --usage\
                   Output a short usage message (this message) and exit.

\--version\
                   Output version information and exit.

## REPORTING BUGS

Report oqmd2cif bugs using e-mail: cod-bugs@ibt.lt