source

(experimental feature; advanced users only) This parameter indicates where the input data (and other parameters) came from. The source could be a number of things including a third party id, a structure from a different Simmate database table, a transformation of another structure, a creation method, or a custom submission by the user.

By default, this is a dictionary to account for the many different scenarios. Here are some examples of values used in this column:

python

# from a thirdparty database or separate table
source = {
    "database_table": "MatprojStructure",
    "database_id": "mp-123",
}

# from a random structure creator
source = {"creator": "PyXtalStructure"}

# from a templated structure creator (e.g. substituition or prototypes)
source = {
    "creator": "PrototypeStructure",
    "database_table": "AFLOWPrototypes",
    "id": 123,
}

# from a transformation
source = {
    "transformation": "MirrorMutation",
    "database_table":"MatprojStructure",
    "parent_ids": ["mp-12", "mp-34"],
}

Typically, the source is set automatically, and users do not need to update it.