adding extra properties

app.py

@@ -8,10 +8,10 @@ import numpy as np
 import periodictable
 from crystal_toolkit.settings import SETTINGS
 from dash import dcc, html
-from dash.dependencies import Input, Output, State
+from dash.dependencies import Input, Output
 from datasets import load_dataset
+from pymatgen.analysis.structure_analyzer import SpacegroupAnalyzer
 from pymatgen.core import Structure
-from pymatgen.ext.matproj import MPRester
 
 HF_TOKEN = os.environ.get("HF_TOKEN")
 top_k = 500
@@ -274,6 +274,8 @@ def display_material(active_cell):
         coords_are_cartesian=True,
     )
 
+    sga = SpacegroupAnalyzer(structure)
+
     # Create the StructureMoleculeComponent
     structure_component = ctc.StructureMoleculeComponent(structure)
 
@@ -284,6 +286,15 @@ def display_material(active_cell):
         "Energy per atom (eV/atom)": row["energy"] / len(row["species_at_sites"]),
         "Band Gap (eV)": row["band_gap_direct"] or row["band_gap_indirect"],
         "Total Magnetization (μB/f.u.)": row["total_magnetization"],
+        "Density (g/cm^3)": structure.density,
+        "Fermi energy level (eV)": row["dos_ef"],
+        "Crystal system": sga.get_crystal_system(),
+        "International Spacegroup": sga.get_symmetry_dataset().international,
+        "Magnetic moments (μB/f.u.)": row["magnetic_moments"],
+        "Stress tensor (kB)": row["stress_tensor"],
+        "Forces on atoms (eV/A)": row["forces"],
+        "Bader charges (e-)": row["charges"],
+        "DFT Functional": row["functional"],
     }
 
     # Format properties as an HTML table