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Replaced Perovskite composition
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Pepe-Marquez committed Nov 8, 2024
1 parent d538def commit 5260813
Showing 1 changed file with 3 additions and 25 deletions.
28 changes: 3 additions & 25 deletions src/perovskite_solar_cell_database/llm_extraction_schema.py
Original file line number Diff line number Diff line change
Expand Up @@ -7,6 +7,7 @@
from nomad.datamodel.metainfo.eln import ELNAnnotation
from nomad.metainfo import JSON, Quantity, Section, SubSection
from nomad.metainfo.metainfo import MEnum
from perovskite_solar_cell_database.composition import PerovskiteCompositionSection

if TYPE_CHECKING:
pass
Expand Down Expand Up @@ -42,32 +43,9 @@ class Ion(SectionRevision):
)


class PerovskiteComposition(SectionRevision):
class PerovskiteComposition(SectionRevision, PerovskiteCompositionSection):
m_def = Section(label='Perovskite Composition')

formula = Quantity(
type=str,
description='The perovskite composition according to IUPAC recommendations, where standard abbreviations are used for all ions',
a_eln=ELNAnnotation(label='Formula', component='StringEditQuantity'),
)

dimensionality = Quantity(
type=MEnum(['0D', '1D', '2D', '3D', '2D/3D']),
description='Dimensionality of the perovskite structure',
a_eln=ELNAnnotation(label='Dimensionality', component='RadioEnumEditQuantity'),
)

ions_a_site = SubSection(
section_def=Ion, repeats=True, a_eln=ELNAnnotation(label='A-site Ions')
)

ions_b_site = SubSection(
section_def=Ion, repeats=True, a_eln=ELNAnnotation(label='B-site Ions')
)

ions_x_site = SubSection(
section_def=Ion, repeats=True, a_eln=ELNAnnotation(label='X-site Ions')
)
pass


# LightSource class
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