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First draft of app and changed band_gap_graded to type bool.
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@Pepe-Marquez
Pepe-Marquez committed Dec 4, 2024
1 parent e6dfdd3 commit e1f86b2
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Showing 2 changed files with 198 additions and 23 deletions.
215 changes: 196 additions & 19 deletions src/perovskite_solar_cell_database/apps/perovskite_solar_cell_database_app.py
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Original file line number Diff line number Diff line change
Expand Up @@ -2,16 +2,17 @@
from nomad.config.models.ui import (
App,
Axis,
AxisScale,
Column,
Dashboard,
Menu,
MenuItemHistogram,
MenuItemOption,
MenuItemPeriodicTable,
MenuItemTerms,
SearchQuantities,
ScaleEnum,
MenuSizeEnum,
AxisScale,
ScaleEnum,
SearchQuantities,
)

schemas = [
Expand All @@ -20,9 +21,9 @@
# noqa: E501
perovskite_database_app = App(
label='The Perovskite Solar Cell Database',
path='perovskite-solar-cells',
path='perovskite-solar-cells-database',
category='Halide Perovskites',
description='Search Entries of the Perovskite Solar Cell Database',
description='Search entries of the perovskite solar cell database',
search_quantities=SearchQuantities(include=schemas),
columns=[
Column(quantity='entry_create_time', selected=True),
Expand Down Expand Up @@ -75,7 +76,33 @@
menu=Menu(
items=[
Menu(
title='Absorber Material',
title='Publication',
size=MenuSizeEnum.XXL,
items=[
MenuItemTerms(
search_quantity='data.ref.journal#perovskite_solar_cell_database.schema.PerovskiteSolarCell',
show_input=True,
width=6,
options=10,
title='Journal',
),
MenuItemTerms(
search_quantity='data.ref.DOI_number#perovskite_solar_cell_database.schema.PerovskiteSolarCell',
show_input=True,
width=6,
options=10,
title='DOI',
),
MenuItemHistogram(
x=Axis(
search_quantity='data.ref.publication_date#perovskite_solar_cell_database.schema.PerovskiteSolarCell',
title='Publication Date',
)
),
],
),
Menu(
title='Perovskite Material',
size=MenuSizeEnum.XXL,
items=[
MenuItemPeriodicTable(
Expand Down Expand Up @@ -113,36 +140,95 @@
show_input=False,
nbins=30,
),
MenuItemTerms(
search_quantity='data.perovskite.composition_a_ions#perovskite_solar_cell_database.schema.PerovskiteSolarCell',
width=4,
options=10,
title='A cations',
),
MenuItemTerms(
search_quantity='data.perovskite.composition_b_ions#perovskite_solar_cell_database.schema.PerovskiteSolarCell',
width=4,
options=10,
title='B cations',
),
MenuItemTerms(
search_quantity='data.perovskite.composition_c_ions#perovskite_solar_cell_database.schema.PerovskiteSolarCell',
width=4,
options=10,
title='X anions',
),
],
),
Menu(
title='Publication',
title='Perovskite Fabrication',
size=MenuSizeEnum.XXL,
items=[
MenuItemTerms(
search_quantity='data.ref.journal#perovskite_solar_cell_database.schema.PerovskiteSolarCell',
show_input=True,
width=6,
search_quantity='data.perovskite_deposition.procedure#perovskite_solar_cell_database.schema.PerovskiteSolarCell',
width=4,
options=10,
title='Journal',
),
MenuItemTerms(
search_quantity='data.ref.DOI_number#perovskite_solar_cell_database.schema.PerovskiteSolarCell',
show_input=True,
width=6,
search_quantity='data.perovskite_deposition.solvents#perovskite_solar_cell_database.schema.PerovskiteSolarCell',
width=4,
options=10,
title='DOI',
),
MenuItemTerms(
search_quantity='data.perovskite.additives_compounds#perovskite_solar_cell_database.schema.PerovskiteSolarCell',
width=4,
options=10,
),
],
),
Menu(
title='Device Architecture',
size=MenuSizeEnum.XXL,
items=[
MenuItemHistogram(
x=Axis(
search_quantity='data.ref.publication_date#perovskite_solar_cell_database.schema.PerovskiteSolarCell',
title='Publication Date',
)
search_quantity='data.cell.area_total#perovskite_solar_cell_database.schema.PerovskiteSolarCell',
scale=ScaleEnum.LOG,
title='Total area',
unit='cm**2',
),
y=AxisScale(
scale=ScaleEnum.POW4,
),
title='Total area',
width=6,
show_input=False,
nbins=30,
),
MenuItemHistogram(
x=Axis(
search_quantity='data.cell.area_measured#perovskite_solar_cell_database.schema.PerovskiteSolarCell',
scale=ScaleEnum.LOG,
title='Total area',
unit='cm**2',
),
y=AxisScale(
scale=ScaleEnum.POW4,
),
title='Measured area',
width=6,
show_input=False,
nbins=30,
),
MenuItemTerms(
search_quantity='results.properties.optoelectronic.solar_cell.device_stack',
width=6,
options=0,
),
MenuItemTerms(
search_quantity='data.cell.architecture#perovskite_solar_cell_database.schema.PerovskiteSolarCell',
width=6,
options=0,
),
],
),
Menu(
title='Transport layers',
title='Transport Layers',
size=MenuSizeEnum.XXL,
items=[
MenuItemTerms(
Expand Down Expand Up @@ -175,6 +261,97 @@
),
],
),
Menu(
title='Solar Cell Performance',
size=MenuSizeEnum.XXL,
items=[
MenuItemHistogram(
x=Axis(
search_quantity='results.properties.optoelectronic.solar_cell.efficiency',
title='Efficiency (%)',
),
y=AxisScale(
scale=ScaleEnum.LINEAR,
),
title='Efficiency',
width=6,
show_input=True,
nbins=30,
),
MenuItemHistogram(
x=Axis(
search_quantity='results.properties.optoelectronic.solar_cell.open_circuit_voltage',
scale=ScaleEnum.LINEAR,
title='Voc',
),
y=AxisScale(
scale=ScaleEnum.LINEAR,
),
title='Voc',
width=6,
show_input=True,
nbins=30,
),
MenuItemHistogram(
x=Axis(
search_quantity='results.properties.optoelectronic.solar_cell.short_circuit_current_density',
title='Jsc',
unit='mA/cm**2',
),
y=AxisScale(
scale=ScaleEnum.LINEAR,
),
title='Jsc',
width=6,
show_input=True,
nbins=30,
),
MenuItemHistogram(
x=Axis(
search_quantity='results.properties.optoelectronic.solar_cell.fill_factor',
scale=ScaleEnum.LINEAR,
title='Fill factor',
),
y=AxisScale(
scale=ScaleEnum.LINEAR,
),
title='Fill factor',
width=6,
show_input=True,
nbins=30,
),
MenuItemHistogram(
x=Axis(
search_quantity='results.properties.optoelectronic.solar_cell.illumination_intensity',
scale=ScaleEnum.LINEAR,
title='Illumination intensity',
unit='mW/cm^2',
),
y=AxisScale(
scale=ScaleEnum.LINEAR,
),
title='Illumination intensity',
width=6,
show_input=True,
nbins=30,
),
MenuItemHistogram(
x=Axis(
search_quantity='data.eqe.integrated_Jsc#perovskite_solar_cell_database.schema.PerovskiteSolarCell',
scale=ScaleEnum.LINEAR,
title='Integrated Jsc (EQE)',
unit='mA/cm**2',
),
y=AxisScale(
scale=ScaleEnum.LINEAR,
),
title='Integrated Jsc (EQE)',
width=6,
show_input=True,
nbins=30,
),
],
),
]
),
dashboard=Dashboard.parse_obj(
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6 changes: 2 additions & 4 deletions src/perovskite_solar_cell_database/schema_sections/perovskite.py
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Original file line number Diff line number Diff line change
Expand Up @@ -5933,14 +5933,12 @@ class Perovskite(ArchiveSection):
)

band_gap_graded = Quantity(
type=str,
type=bool,
shape=[],
description="""
TRUE if the band gap varies as a function of the vertical position in the perovskite layer.
""",
a_eln=dict(
component='EnumEditQuantity', props=dict(suggestions=['true', 'false'])
),
a_eln=dict(component='BoolEditQuantity'),
)

band_gap_estimation_basis = Quantity(
Expand Down

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