Update README.md

README.md

@@ -1,3 +1,13 @@
+---
+language:
+- en
+tags:
+- chemistry
+- crystal
+- material
+size_categories:
+- 1M<n<10M
+---
 # Datasets curated from LeMaterial/LeMatBulkUnique - unique_pbe version 1.0
 
 This repository is aimed to contain a curated version of the PBE calculated part of LeMaterial dataset created by Entalpic
@@ -23,4 +33,4 @@ NOTE: Lu (Z = 90) and Lr (Z = 103) were not touched because their valence electr
 - All structures considered equivalent by the StructureMatcher with default parameters of fractional length tolerance ltol = 0.2, site tolerance stol = 0.3, and angle tolerance angle_tol = 5.0 degrees.
 
 NOTE: Even if we exctracted the initial data from the "Unique" dataset which passed Entalpic's hash algorithm, a lot of duplicates remained for the StructureMatcher.
-We put an emphasis on this to underline the statement from Entalpic's own page that their hash method is not perfect yet, but it is still a very useful approach by its efficiency in order to do a pre-filtering task.
+We put an emphasis on this to underline the statement from Entalpic's own page that their hash method is not perfect yet, but it is still a very useful approach by its efficiency in order to do a pre-filtering task.