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from pymatgen.core import Structure, Lattice

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```python
from mp_api.client import MPRester

with MPRester() as mpr:
    # Get structure by material ID
    struct = mpr.get_structure_by_material_id("mp-149")

    # Search for materials
    materials = mpr.materials.summary.search(
        formula="Fe2O3",
        energy_above_hull=(0, 0.05)
    )

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**From scratch:**
```python
from pymatgen.core import Structure, Lattice

**Transformations:**
```python
from pymatgen.transformations.standard_transformations import (
    SupercellTransformation,
    SubstitutionTransformation,
    PrimitiveCellTransformation
)

**Reference:** See `references/core_classes.md` for comprehensive documentation of Structure, Lattice, Molecule, and related classes.

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**Using the conversion script:**
```bash

**Reference:** See `references/io_formats.md` for detailed documentation of all supported formats and code integrations.

from pymatgen.symmetry.analyzer import SpacegroupAnalyzer

sga = SpacegroupAnalyzer(struct)

**Coordination environment:**
```python
from pymatgen.analysis.local_env import CrystalNN

cnn = CrystalNN()
neighbors = cnn.get_nn_info(struct, n=0)  # Neighbors of site 0

print(f"Coordination number: {len(neighbors)}")
for neighbor in neighbors:
    site = struct[neighbor['site_index']]
    print(f"  {site.species_string} at {neighbor['weight']:.3f} Å")

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**Reference:** See `references/analysis_modules.md` for detailed documentation of all analysis capabilities.

from mp_api.client import MPRester
from pymatgen.analysis.phase_diagram import PhaseDiagram, PDPlotter

    if e_above_hull > 0.001:
        # Get decomposition
        decomp = pd.get_decomposition(comp)
        print("Decomposes to:", decomp)

**Using the phase diagram script:**
```bash

**Reference:** See `references/analysis_modules.md` (Phase Diagrams section) and `references/transformations_workflows.md` (Workflow 2) for detailed examples.

from pymatgen.io.vasp import Vasprun
from pymatgen.electronic_structure.plotter import BSPlotter

**Density of states:**
```python
from pymatgen.electronic_structure.plotter import DosPlotter

dos = vasprun.complete_dos

**Reference:** See `references/analysis_modules.md` (Electronic Structure section) and `references/io_formats.md` (VASP section).

from pymatgen.core.surface import SlabGenerator

**Wulff shape construction:**
```python
from pymatgen.analysis.wulff import WulffShape

**Adsorption site finding:**
```python
from pymatgen.analysis.adsorption import AdsorbateSiteFinder
from pymatgen.core import Molecule

asf = AdsorbateSiteFinder(slab)

**Reference:** See `references/analysis_modules.md` (Surface and Interface section) and `references/transformations_workflows.md` (Workflows 3 and 9).

from mp_api.client import MPRester

with MPRester() as mpr:
    # Search by formula
    materials = mpr.materials.summary.search(formula="Fe2O3")

    # Search by chemical system
    materials = mpr.materials.summary.search(chemsys="Li-Fe-O")

    # Filter by properties
    materials = mpr.materials.summary.search(
        chemsys="Li-Fe-O",
        energy_above_hull=(0, 0.05),  # Stable/metastable
        band_gap=(1.0, 3.0)            # Semiconducting
    )

    # Get structure
    struct = mpr.get_structure_by_material_id("mp-149")

    # Get band structure
    bs = mpr.get_bandstructure_by_material_id("mp-149")

    # Get entries for phase diagram
    entries = mpr.get_entries_in_chemsys("Li-Fe-O")

from pymatgen.io.vasp.sets import MPRelaxSet, MPStaticSet, MPNonSCFSet

**Other codes:**
```python

**Reference:** See `references/io_formats.md` (Electronic Structure Code I/O section) and `references/transformations_workflows.md` for workflow examples.

from pymatgen.analysis.diffraction.xrd import XRDCalculator

xrd = XRDCalculator()
pattern = xrd.get_pattern(struct)

**Elastic properties:**
```python
from pymatgen.analysis.elasticity import ElasticTensor

**Magnetic ordering:**
```python
from pymatgen.transformations.advanced_transformations import MagOrderingTransformation

**Reference:** See `references/analysis_modules.md` for comprehensive analysis module documentation.

from pymatgen.transformations.standard_transformations import SubstitutionTransformation
from pymatgen.io.vasp.sets import MPRelaxSet

# Generate VASP inputs
vasp_input = MPRelaxSet(doped_struct)
vasp_input.write_input(f"./calcs/Fe_{dopant}")

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**More workflows:** See `references/transformations_workflows.md` for 10 detailed workflow examples.

uv pip install pymatgen[analysis,vis]

export MP_API_KEY="your_key_here"

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**Symmetry analysis fails**: Structure may have numerical precision issues
```python

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