query_materials_mp.py Command Help

Command: $SCHRODINGER/run query_materials_gui_dir/query_materials_mp.py

usage: $SCHRODINGER/run query_materials_gui_dir/query_materials_mp.py
       [-h] [-api_key API_KEY]
       (-reduced_cell_formula FORMULA | -ids ID:ID:ID | -elements ELEMENT:ELEMENT:ELEMENT | -query QUERY)
       [-max_results MAX_RESULTS] [-symprec SYMPREC] [-primitive]
       [-HOST <hostname>]

Query MaterialsProject database. Copyright Schrodinger, LLC. All rights
reserved.

options:
  -h, -help             Show this help message and exit.
  -api_key API_KEY      Materials Project API key (default: None)
  -reduced_cell_formula FORMULA
                        Reduced cell formula of material (default: None)
  -ids ID:ID:ID         A colon-delimited list of ID from Materials Project
                        database. (default: None)
  -elements ELEMENT:ELEMENT:ELEMENT
                        A colon-delimited list of elements. (default: None)
  -query QUERY          JSON query to the database. (default: None)
  -max_results MAX_RESULTS
                        Maximum number of results (default: 1000)
  -symprec SYMPREC      Tolerance in atomic coordinates to find crystal
                        symmetry. (default: 0.01)
  -primitive            Save primitive cell instead of conventional cell.
                        (default: False)

Job Control Options:
  -HOST <hostname>      Run job remotely on the indicated host entry.
                        (default: localhost)