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from typing import List, Optional
from pydantic import BaseModel, Field
class ElasticityData(BaseModel):
"""
Elastic tensors and associated information.
"""
k_voigt: Optional[float] = Field(
None,
description="Voigt average of the bulk modulus in GPa.",
)
k_reuss: Optional[float] = Field(
None,
description="Reuss average of the bulk modulus in GPa.",
)
k_vrh: Optional[float] = Field(
None,
description="Voigt-Reuss-Hill average of the bulk modulus in GPa.",
)
g_voigt: Optional[float] = Field(
None,
description="Voigt average of the shear modulus in GPa.",
)
g_reuss: Optional[float] = Field(
None,
description="Reuss average of the shear modulus in GPa.",
)
g_vrh: Optional[float] = Field(
None,
description="Voigt-Reuss-Hill average of the shear modulus in GPa.",
)
universal_anisotropy: Optional[float] = Field(
None,
description="Elastic anisotropy.",
)
homogeneous_poisson: Optional[float] = Field(
None,
description="Poisson's ratio.",
)
elastic_tensor: Optional[List[List[float]]] = Field(
None,
description="Stiffness tensor in GPa.",
)
compliance_tensor: Optional[List[List[float]]] = Field(
None,
description="Compliance tensor in 10^(-12)/Pa.",
)
class ElasticityDoc(BaseModel):
"""
Model for a document containing elasticity data
"""
pretty_formula: Optional[str] = Field(
None,
description="Cleaned representation of the material formula",
)
chemsys: Optional[str] = Field(
None,
description="Dash-delimited string of elements in the material.",
)
elasticity: Optional[ElasticityData] = Field(
None,
description="Elasticity data for the material.",
)
task_id: Optional[str] = Field(
None,
description="The Materials Project ID of the material. This comes in the form: mp-******.",
)
|
