Fixed hash overlap issue, fixed inconsistency in representative calculation...

Fixed hash overlap issue, fixed inconsistency in representative calculation selection, updated enc gui image to latest version.

encyclopedia-gui @ 1f6cce25

-Subproject commit 7c273bcf8d8f86604e430abdbe30e93daa29d4d4
+Subproject commit 1f6cce2588f049e791983739624d9a56e18b16d0

nomad/app/api/encyclopedia.py

@@ -830,7 +830,9 @@ class EncCalculationsResource(Resource):
         def calc_score(entry):
             """Custom scoring function used to sort results by their
             "quality". Currently built to mimic the scoring that was used
-            in the old Encyclopedia GUI.
+            in the old Encyclopedia GUI. Primarily sorts by quality measure,
+            ties are broken by alphabetic sorting of entry_id in order to
+            return consistent results.
             """
             score = 0
             functional_score = {
@@ -850,7 +852,7 @@ class EncCalculationsResource(Resource):
             if has_dos and has_bs:
                 score += 10
 
-            return score
+            return (score, entry["calc_id"])
 
         # The calculations are first sorted by "quality"
         sorted_calc = sorted(response, key=lambda x: calc_score(x), reverse=True)

nomad/normalizing/encyclopedia/material.py

@@ -422,6 +422,14 @@ class MaterialBulkNormalizer(MaterialNormalizer):
 class Material2DNormalizer(MaterialNormalizer):
     """Processes structure related metainfo for Encyclopedia 2D structures.
     """
+    def material_id(self, material: Material, spg_number: int, wyckoff_sets: List[WyckoffSet]) -> None:
+        # The hash is based on the symmetry analysis of the structure when it
+        # is treated as a 3D structure. Due to this the hash may overlap with
+        # real 3D structures unless we include a distinguishing label for 2D
+        # structures in the hash seed.
+        norm_hash_string = "2D " + atomutils.get_symmetry_string(spg_number, wyckoff_sets)
+        material.material_id = hash(norm_hash_string)
+
     def lattice_vectors(self, ideal: IdealizedStructure, std_atoms: Atoms) -> None:
         cell_normalized = std_atoms.get_cell()
         cell_normalized *= 1e-10