](https://www.perovskitedatabase.com/)
### Introduction
-Welcome to the NOMAD plugin for the Perovskite Solar Cell Database. This project aims to provide an open-access interface for the perovskite solar cells database in NOMAD making the data accessible and interoperable with many other materials science datasets.
-The data can be accessed via the NOMAD API and explored in the [NOMAD Solar Cell APP](https://nomad-lab.eu/prod/v1/staging/gui/search/solarcells).
+Welcome to the NOMAD plugin for the Perovskite Solar Cell Database.
+This project aims to provide an open-access interface for the perovskite solar cells database in NOMAD making the data accessible and interoperable with many other materials science datasets.
+The data can be accessed via the NOMAD API and explored in the [NOMAD Solar Cell App](https://nomad-lab.eu/prod/v1/staging/gui/search/solarcells).
- [
](https://nomad-lab.eu/prod/v1/staging/gui/search/solarcells)
+It also contains a database of ions used in halide perovskites and a schema to create standarized perovskite composition entries.
-Information about the original database is available at [perovskitedatabase.com](https://www.perovskitedatabase.com/).
+ [](https://nomad-lab.eu/prod/v1/staging/gui/search/solarcells)
### Key Features
-- Detailed schema of perovskite solar cells.
+- The perovskite solar cell database.
+- A database of ions used in halide perovskites.
+- A schema to create standarized perovskite composition entries.
- Integration with NOMAD for data exploration and access via the API.
- Augmented (meta)data including the elements of the perovskite absorbers and several standardized chemical formulas, enabling an easy featurization of the composition for ML applications.
-### Installation
-To be completed.
-
-### Acknowledgments
-Special thanks to Jinzhao Li and all contributors who have made this project possible.
-
-### Related Resources
-- [Original Paper on Nature Energy](https://www.nature.com/articles/s41560-021-00941-3)
-- [NOMAD Documentation](https://nomad-lab.eu/prod/v1/staging/docs/)
-
\ No newline at end of file
diff --git a/docs/tutorial/sharing_a_perovskite_composition.md b/docs/tutorial/sharing_a_perovskite_composition.md
new file mode 100644
index 0000000..5a7e9f5
--- /dev/null
+++ b/docs/tutorial/sharing_a_perovskite_composition.md
@@ -0,0 +1,4 @@
+# Sharing a perovskite composition in NOMAD
+
+!!! note "Attention"
+ TODO
diff --git a/docs/tutorial/tutorial.md b/docs/tutorial/tutorial.md
deleted file mode 100644
index a24d72a..0000000
--- a/docs/tutorial/tutorial.md
+++ /dev/null
@@ -1,4 +0,0 @@
-# Tutorial
-
-!!! note "Attention"
- TODO
diff --git a/mkdocs.yml b/mkdocs.yml
index 13f9f1e..29a3971 100644
--- a/mkdocs.yml
+++ b/mkdocs.yml
@@ -1,21 +1,25 @@
site_name: nomad-perovskite-solar-cells-database
site_description: This is a NOMAD plugin for the perovskite solar cells database.
-
-
+edit_uri: ""
repo_url: https://github.com/FAIRmat-NFDI/nomad-perovskite-solar-cells-database
nav:
- Home: index.md
- Tutorial: tutorial/tutorial.md
- How-to guides:
- - Install this Plugin: how_to/install_this_plugin.md
- - Use this Plugin: how_to/use_this_plugin.md
+ - Install this plugin: how_to/install_this_plugin.md
- Contribute to this plugin: how_to/contribute_to_this_plugin.md
- Contribute to the documentation: how_to/contribute_to_the_documentation.md
+ - Search for ions: how_to/search_for_ions.md
+ - Add a new ion: how_to/add_a_new_ion.md
+ - Export a cation structure: how_to/export_a_cation_structure.md
+ - Create a perovskite compostion: how_to/create_a_perovskite_composition.md
- Explanation: explanation/explanation.md
- Reference: reference/references.md
plugins:
- search
+ - glightbox
+
theme:
name: material
palette:
@@ -26,7 +30,11 @@ theme:
logo: assets/nomad-plugin-logo.png
favicon: assets/favicon.png
features:
- - navigation.instant
+ - navigation.path
+ - navigation.footer
+ - navigation.top
+ icon:
+ repo: fontawesome/brands/github
custom_dir: docs/theme
markdown_extensions:
- attr_list
@@ -37,17 +45,16 @@ markdown_extensions:
anchor_linenums: true
- pymdownx.inlinehilite
- pymdownx.snippets
- - pymdownx.superfences
+ - mkdocs-click
+ - pymdownx.extra
- toc:
permalink: True
- pymdownx.arithmatex:
generic: true
- - attr_list
- - mkdocs-click
- - pymdownx.extra
+
extra:
generator: false
- homepage: https://nomad-lab.eu
+ homepage: https://github.com/FAIRmat-NFDI/nomad-perovskite-solar-cells-database
use_directory_urls: false
extra_css:
- stylesheets/extra.css
diff --git a/src/perovskite_solar_cell_database/apps/perovskite_ions_app.py b/src/perovskite_solar_cell_database/apps/perovskite_ions_app.py
index 3974641..e0b7836 100644
--- a/src/perovskite_solar_cell_database/apps/perovskite_ions_app.py
+++ b/src/perovskite_solar_cell_database/apps/perovskite_ions_app.py
@@ -69,15 +69,93 @@
yaml.safe_load(
"""
widgets:
- - layout:
- xxl: {minH: 8, minW: 12, h: 9, w: 13, y: 0, x: 0}
- xl: {minH: 8, minW: 12, h: 9, w: 12, y: 0, x: 0}
- lg: {minH: 8, minW: 12, h: 8, w: 12, y: 0, x: 0}
- md: {minH: 8, minW: 12, h: 8, w: 12, y: 0, x: 0}
- sm: {minH: 8, minW: 12, h: 8, w: 12, y: 0, x: 0}
- type: periodictable
+ - type: periodictable
scale: linear
- quantity: results.material.elements
+ search_quantity: results.material.elements
+ layout:
+ xxl:
+ minH: 8
+ minW: 12
+ h: 9
+ w: 13
+ y: 0
+ x: 0
+ xl:
+ minH: 8
+ minW: 12
+ h: 9
+ w: 12
+ y: 0
+ x: 0
+ lg:
+ minH: 8
+ minW: 12
+ h: 8
+ w: 12
+ y: 0
+ x: 0
+ md:
+ minH: 8
+ minW: 12
+ h: 8
+ w: 12
+ y: 0
+ x: 0
+ sm:
+ minH: 8
+ minW: 12
+ h: 8
+ w: 12
+ y: 0
+ x: 0
+ - type: scatter_plot
+ autorange: true
+ size: 1000
+ markers:
+ color:
+ search_quantity: results.material.topology[0].structural_type
+ y:
+ search_quantity: data.pure_substance.molar_mass#perovskite_solar_cell_database.composition.PerovskiteAIon
+ title: A cation molar mass
+ x:
+ search_quantity: results.material.topology[0].n_atoms
+ title: ""
+ layout:
+ xxl:
+ minH: 3
+ minW: 3
+ h: 6
+ w: 9
+ y: 0
+ x: .inf
+ xl:
+ minH: 3
+ minW: 3
+ h: 9
+ w: 18
+ y: 0
+ x: 12
+ lg:
+ minH: 3
+ minW: 3
+ h: 8
+ w: 12
+ y: 0
+ x: 12
+ md:
+ minH: 3
+ minW: 3
+ h: 8
+ w: 6
+ y: 0
+ x: 12
+ sm:
+ minH: 3
+ minW: 3
+ h: 6
+ w: 9
+ y: 8
+ x: 0
"""
)
),
diff --git a/tests/apps/test_solar_cell_app.py b/tests/apps/test_solar_cell_app.py
index 2b48230..cffd83d 100644
--- a/tests/apps/test_solar_cell_app.py
+++ b/tests/apps/test_solar_cell_app.py
@@ -1,5 +1,5 @@
def test_importing_app():
# This will raise an exception if pydantic model validation fails for the app
- from perovskite_solar_cell_database.apps.solar_cell_app import (
+ from perovskite_solar_cell_database.apps.solar_cell_app import ( # type: ignore
solar_cell_app, # noqa: F401
)