# {py:mod}`airsspy.volume_minsep_data`

```{py:module} airsspy.volume_minsep_data
```

```{autodoc2-docstring} airsspy.volume_minsep_data
:allowtitles:
```

## Module Contents

### Classes

````{list-table}
:class: autosummary longtable
:align: left

* - {py:obj}`VolumeAggregate <airsspy.volume_minsep_data.VolumeAggregate>`
  - ```{autodoc2-docstring} airsspy.volume_minsep_data.VolumeAggregate
    :summary:
    ```
* - {py:obj}`PairAggregate <airsspy.volume_minsep_data.PairAggregate>`
  - ```{autodoc2-docstring} airsspy.volume_minsep_data.PairAggregate
    :summary:
    ```
````

### Functions

````{list-table}
:class: autosummary longtable
:align: left

* - {py:obj}`canonical_pair <airsspy.volume_minsep_data.canonical_pair>`
  - ```{autodoc2-docstring} airsspy.volume_minsep_data.canonical_pair
    :summary:
    ```
* - {py:obj}`canonical_pair_key <airsspy.volume_minsep_data.canonical_pair_key>`
  - ```{autodoc2-docstring} airsspy.volume_minsep_data.canonical_pair_key
    :summary:
    ```
* - {py:obj}`composition_dict_from_formula <airsspy.volume_minsep_data.composition_dict_from_formula>`
  - ```{autodoc2-docstring} airsspy.volume_minsep_data.composition_dict_from_formula
    :summary:
    ```
* - {py:obj}`formula_num_atoms <airsspy.volume_minsep_data.formula_num_atoms>`
  - ```{autodoc2-docstring} airsspy.volume_minsep_data.formula_num_atoms
    :summary:
    ```
* - {py:obj}`formula_species <airsspy.volume_minsep_data.formula_species>`
  - ```{autodoc2-docstring} airsspy.volume_minsep_data.formula_species
    :summary:
    ```
* - {py:obj}`enumerate_formula_pairs <airsspy.volume_minsep_data.enumerate_formula_pairs>`
  - ```{autodoc2-docstring} airsspy.volume_minsep_data.enumerate_formula_pairs
    :summary:
    ```
* - {py:obj}`load_dataset_records <airsspy.volume_minsep_data.load_dataset_records>`
  - ```{autodoc2-docstring} airsspy.volume_minsep_data.load_dataset_records
    :summary:
    ```
* - {py:obj}`volume_per_atom_from_record <airsspy.volume_minsep_data.volume_per_atom_from_record>`
  - ```{autodoc2-docstring} airsspy.volume_minsep_data.volume_per_atom_from_record
    :summary:
    ```
* - {py:obj}`canonical_minsep_map <airsspy.volume_minsep_data.canonical_minsep_map>`
  - ```{autodoc2-docstring} airsspy.volume_minsep_data.canonical_minsep_map
    :summary:
    ```
* - {py:obj}`aggregate_training_targets <airsspy.volume_minsep_data.aggregate_training_targets>`
  - ```{autodoc2-docstring} airsspy.volume_minsep_data.aggregate_training_targets
    :summary:
    ```
* - {py:obj}`volume_rows_to_dicts <airsspy.volume_minsep_data.volume_rows_to_dicts>`
  - ```{autodoc2-docstring} airsspy.volume_minsep_data.volume_rows_to_dicts
    :summary:
    ```
* - {py:obj}`pair_rows_to_dicts <airsspy.volume_minsep_data.pair_rows_to_dicts>`
  - ```{autodoc2-docstring} airsspy.volume_minsep_data.pair_rows_to_dicts
    :summary:
    ```
* - {py:obj}`get_minsep_dict <airsspy.volume_minsep_data.get_minsep_dict>`
  - ```{autodoc2-docstring} airsspy.volume_minsep_data.get_minsep_dict
    :summary:
    ```
* - {py:obj}`build_dataset_rows <airsspy.volume_minsep_data.build_dataset_rows>`
  - ```{autodoc2-docstring} airsspy.volume_minsep_data.build_dataset_rows
    :summary:
    ```
* - {py:obj}`build_minsep_volume_dataset <airsspy.volume_minsep_data.build_minsep_volume_dataset>`
  - ```{autodoc2-docstring} airsspy.volume_minsep_data.build_minsep_volume_dataset
    :summary:
    ```
* - {py:obj}`curate_minsep_volume_dataset <airsspy.volume_minsep_data.curate_minsep_volume_dataset>`
  - ```{autodoc2-docstring} airsspy.volume_minsep_data.curate_minsep_volume_dataset
    :summary:
    ```
````

### API

````{py:function} canonical_pair(symbol_a: str, symbol_b: str) -> tuple[str, str]
:canonical: airsspy.volume_minsep_data.canonical_pair

```{autodoc2-docstring} airsspy.volume_minsep_data.canonical_pair
```
````

````{py:function} canonical_pair_key(symbol_a: str, symbol_b: str) -> str
:canonical: airsspy.volume_minsep_data.canonical_pair_key

```{autodoc2-docstring} airsspy.volume_minsep_data.canonical_pair_key
```
````

````{py:function} composition_dict_from_formula(formula: str) -> dict[str, float]
:canonical: airsspy.volume_minsep_data.composition_dict_from_formula

```{autodoc2-docstring} airsspy.volume_minsep_data.composition_dict_from_formula
```
````

````{py:function} formula_num_atoms(formula: str) -> float
:canonical: airsspy.volume_minsep_data.formula_num_atoms

```{autodoc2-docstring} airsspy.volume_minsep_data.formula_num_atoms
```
````

````{py:function} formula_species(formula: str) -> tuple[str, ...]
:canonical: airsspy.volume_minsep_data.formula_species

```{autodoc2-docstring} airsspy.volume_minsep_data.formula_species
```
````

````{py:function} enumerate_formula_pairs(formula: str) -> list[tuple[str, str]]
:canonical: airsspy.volume_minsep_data.enumerate_formula_pairs

```{autodoc2-docstring} airsspy.volume_minsep_data.enumerate_formula_pairs
```
````

````{py:function} load_dataset_records(path: str | pathlib.Path) -> list[dict]
:canonical: airsspy.volume_minsep_data.load_dataset_records

```{autodoc2-docstring} airsspy.volume_minsep_data.load_dataset_records
```
````

````{py:function} volume_per_atom_from_record(record: dict) -> float
:canonical: airsspy.volume_minsep_data.volume_per_atom_from_record

```{autodoc2-docstring} airsspy.volume_minsep_data.volume_per_atom_from_record
```
````

````{py:function} canonical_minsep_map(record: dict) -> dict[str, float]
:canonical: airsspy.volume_minsep_data.canonical_minsep_map

```{autodoc2-docstring} airsspy.volume_minsep_data.canonical_minsep_map
```
````

`````{py:class} VolumeAggregate
:canonical: airsspy.volume_minsep_data.VolumeAggregate

```{autodoc2-docstring} airsspy.volume_minsep_data.VolumeAggregate
```

````{py:attribute} reduced_formula
:canonical: airsspy.volume_minsep_data.VolumeAggregate.reduced_formula
:type: str
:value: >
   None

```{autodoc2-docstring} airsspy.volume_minsep_data.VolumeAggregate.reduced_formula
```

````

````{py:attribute} num_atoms_in_formula
:canonical: airsspy.volume_minsep_data.VolumeAggregate.num_atoms_in_formula
:type: float
:value: >
   None

```{autodoc2-docstring} airsspy.volume_minsep_data.VolumeAggregate.num_atoms_in_formula
```

````

````{py:attribute} n_structures
:canonical: airsspy.volume_minsep_data.VolumeAggregate.n_structures
:type: int
:value: >
   None

```{autodoc2-docstring} airsspy.volume_minsep_data.VolumeAggregate.n_structures
```

````

````{py:attribute} volume_per_atom
:canonical: airsspy.volume_minsep_data.VolumeAggregate.volume_per_atom
:type: float
:value: >
   None

```{autodoc2-docstring} airsspy.volume_minsep_data.VolumeAggregate.volume_per_atom
```

````

````{py:attribute} volume_per_atom_min
:canonical: airsspy.volume_minsep_data.VolumeAggregate.volume_per_atom_min
:type: float
:value: >
   None

```{autodoc2-docstring} airsspy.volume_minsep_data.VolumeAggregate.volume_per_atom_min
```

````

````{py:attribute} volume_per_atom_max
:canonical: airsspy.volume_minsep_data.VolumeAggregate.volume_per_atom_max
:type: float
:value: >
   None

```{autodoc2-docstring} airsspy.volume_minsep_data.VolumeAggregate.volume_per_atom_max
```

````

````{py:attribute} volume_per_atom_mad
:canonical: airsspy.volume_minsep_data.VolumeAggregate.volume_per_atom_mad
:type: float
:value: >
   None

```{autodoc2-docstring} airsspy.volume_minsep_data.VolumeAggregate.volume_per_atom_mad
```

````

`````

`````{py:class} PairAggregate
:canonical: airsspy.volume_minsep_data.PairAggregate

```{autodoc2-docstring} airsspy.volume_minsep_data.PairAggregate
```

````{py:attribute} reduced_formula
:canonical: airsspy.volume_minsep_data.PairAggregate.reduced_formula
:type: str
:value: >
   None

```{autodoc2-docstring} airsspy.volume_minsep_data.PairAggregate.reduced_formula
```

````

````{py:attribute} pair_key
:canonical: airsspy.volume_minsep_data.PairAggregate.pair_key
:type: str
:value: >
   None

```{autodoc2-docstring} airsspy.volume_minsep_data.PairAggregate.pair_key
```

````

````{py:attribute} num_atoms_in_formula
:canonical: airsspy.volume_minsep_data.PairAggregate.num_atoms_in_formula
:type: float
:value: >
   None

```{autodoc2-docstring} airsspy.volume_minsep_data.PairAggregate.num_atoms_in_formula
```

````

````{py:attribute} n_observations
:canonical: airsspy.volume_minsep_data.PairAggregate.n_observations
:type: int
:value: >
   None

```{autodoc2-docstring} airsspy.volume_minsep_data.PairAggregate.n_observations
```

````

````{py:attribute} minsep
:canonical: airsspy.volume_minsep_data.PairAggregate.minsep
:type: float
:value: >
   None

```{autodoc2-docstring} airsspy.volume_minsep_data.PairAggregate.minsep
```

````

````{py:attribute} minsep_min
:canonical: airsspy.volume_minsep_data.PairAggregate.minsep_min
:type: float
:value: >
   None

```{autodoc2-docstring} airsspy.volume_minsep_data.PairAggregate.minsep_min
```

````

````{py:attribute} minsep_max
:canonical: airsspy.volume_minsep_data.PairAggregate.minsep_max
:type: float
:value: >
   None

```{autodoc2-docstring} airsspy.volume_minsep_data.PairAggregate.minsep_max
```

````

````{py:attribute} minsep_mad
:canonical: airsspy.volume_minsep_data.PairAggregate.minsep_mad
:type: float
:value: >
   None

```{autodoc2-docstring} airsspy.volume_minsep_data.PairAggregate.minsep_mad
```

````

`````

````{py:function} aggregate_training_targets(records: collections.abc.Iterable[dict]) -> tuple[list[airsspy.volume_minsep_data.VolumeAggregate], list[airsspy.volume_minsep_data.PairAggregate], dict]
:canonical: airsspy.volume_minsep_data.aggregate_training_targets

```{autodoc2-docstring} airsspy.volume_minsep_data.aggregate_training_targets
```
````

````{py:function} volume_rows_to_dicts(rows: collections.abc.Iterable[airsspy.volume_minsep_data.VolumeAggregate]) -> list[dict]
:canonical: airsspy.volume_minsep_data.volume_rows_to_dicts

```{autodoc2-docstring} airsspy.volume_minsep_data.volume_rows_to_dicts
```
````

````{py:function} pair_rows_to_dicts(rows: collections.abc.Iterable[airsspy.volume_minsep_data.PairAggregate]) -> list[dict]
:canonical: airsspy.volume_minsep_data.pair_rows_to_dicts

```{autodoc2-docstring} airsspy.volume_minsep_data.pair_rows_to_dicts
```
````

````{py:function} get_minsep_dict(structure: pymatgen.core.Structure, cutoff: float = 5.0) -> dict[str, float]
:canonical: airsspy.volume_minsep_data.get_minsep_dict

```{autodoc2-docstring} airsspy.volume_minsep_data.get_minsep_dict
```
````

````{py:function} build_dataset_rows(docs: collections.abc.Iterable[dict[str, typing.Any]], *, show_progress: bool = True) -> list[dict[str, typing.Any]]
:canonical: airsspy.volume_minsep_data.build_dataset_rows

```{autodoc2-docstring} airsspy.volume_minsep_data.build_dataset_rows
```
````

````{py:function} build_minsep_volume_dataset(*, mp_docs_path: str | pathlib.Path, output_path: str | pathlib.Path, show_progress: bool = True) -> dict[str, typing.Any]
:canonical: airsspy.volume_minsep_data.build_minsep_volume_dataset

```{autodoc2-docstring} airsspy.volume_minsep_data.build_minsep_volume_dataset
```
````

````{py:function} curate_minsep_volume_dataset(*, minsep_dataset_path: str | pathlib.Path, mp_docs_path: str | pathlib.Path, output_path: str | pathlib.Path) -> dict
:canonical: airsspy.volume_minsep_data.curate_minsep_volume_dataset

```{autodoc2-docstring} airsspy.volume_minsep_data.curate_minsep_volume_dataset
```
````