feature/SOF-8044 Feature: add the h-BN boron-vacancy formation-energy Specific Example

other/materials_designer/specific_examples/Introduction.ipynb

@@ -42,7 +42,7 @@
     "| `D-0D-DFP`   | Defect Pair                    | [Defect Pair in GaN](defect_point_pair_gallium_nitride.ipynb)                                                        | *To be added* | [[16]](#ref16) |\n",
     "| `D-0D-INT`   | Interstitial                   | [Interstitial in SnO₂](defect_point_interstitial_tin_oxide.ipynb)                                                    | *To be added* | [[17]](#ref17) |\n",
     "| `D-0D-SUB`   | Substitution                   | [N-doped Graphene](defect_point_substitution_graphene.ipynb)                                                         | [N-doped Graphene Band Structure](defect_point_substitution_graphene_SIMULATION.ipynb) | [[18]](#ref18) |\n",
-    "| `D-0D-VAC`   | Vacancy                        | [Vacancy in BN](defect_point_vacancy_boron_nitride.ipynb)                                                            | *To be added* | [[19]](#ref19) |\n",
+    "| `D-0D-VAC`   | Vacancy                        | [Vacancy in BN](defect_point_vacancy_boron_nitride.ipynb)                                                            | [B Vacancy Formation Energy in h-BN](defect_point_vacancy_boron_nitride_SIMULATION.ipynb) | [[19]](#ref19) |\n",
     "| `X-3D-PER`   | Perturbation                   | *To be added*                                                                                                        | —             | — |\n",
     "| `X-3D-ANL`   | Annealed Crystal               | *To be added*                                                                                                        | —             | — |\n",
     "| `X-2D-PER`   | Perturbation                   | [Ripple Perturbation in Graphene](perturbation_ripple_graphene.ipynb)                                                | *To be added* | [[20]](#ref20) |\n",

other/materials_designer/specific_examples/defect_point_vacancy_boron_nitride.ipynb

@@ -12,7 +12,7 @@
     "This tutorial demonstrates the process of creating materials with vacancy defects, based on the work presented in the following manuscript:\n",
     "\n",
     "> **Fabian Bertoldo, Sajid Ali, Simone Manti & Kristian S. Thygesen**,\n",
-    "> \"Quantum point defects in 2D materials - the QPOD database\", Nature, 2022. \n",
+    "> \"Quantum point defects in 2D materials - the QPOD database\", npj Computational Materials, 2022. \n",
     "> [DOI:10.1038/s41524-022-00730-w](https://doi.org/10.1038/s41524-022-00730-w)\n",
     "\n",
     "Below is the figure 1 from the manuscript demonstrating the boron vacancy defects in hexagonal boron nitride (h-BN).\n",
@@ -189,8 +189,9 @@
     "from mat3ra.notebooks_utils.io import download_content_to_file\n",
     "from mat3ra.notebooks_utils.material import set_materials\n",
     "\n",
+    "nanoribbon.name = \"h-BN supercell\"\n",
     "material_with_defect.name = \"B-vacancy h-BN\"\n",
-    "set_materials(material_with_defect)\n",
+    "set_materials([nanoribbon, material_with_defect])\n",
     "download_content_to_file(material_with_defect.to_json(), \"B-vacancy_hexagonal_boron_nitride.json\")"
    ]
   }