Added metastable file description to datacard

README.md

@@ -8,7 +8,7 @@ tags:
 size_categories:
 - 1M<n<10M
 ---
-# Datasets curated from LeMaterial/LeMatBulkUnique - unique_pbe version 1.0
+# Datasets curated from LeMaterial/LeMatBulkUnique - unique_pbe version 1.1
 
 This repository is aimed to contain a curated version of the PBE calculated part of LeMaterial dataset created by Entalpic
 and available at "https://huggingface.co/datasets/LeMaterial/LeMat-BulkUnique" as "unique_pbe".
@@ -37,10 +37,11 @@ We put an emphasis on this to underline the statement from Entalpic's own page t
 
 ## Dataset files specifications
 
-- The file simply named "lematerial.cif" contains all 2,838,937 structures that passed all curation steps mentionned above.
+- The file simply named "lematerial.cif" contains all 2,838,937 structures that passed all curation steps mentioned above.
 - The files whose name contain a crystal system name are crystal system specific subsets of the full dataset.
   The classification relies on the SpacegroupAnalyzer class of Pymatgen with default fractional coordinate tolerance of 0.01 and angle tolerance of 5.0 degrees.
 - The data in the subsets is not symmetrized in order to have all true atomic positions as given in the original dataset and not ones estimated by symmetry operations.
+- The file named "lematerial_metastables.cif" is a subset of "lematerial.cif" containing only materials with DFT hull energies under 0.1 eV/atom (energies extracted from the LeMatBulk-DFT-Hull-All dataset).
 
 ### Subsets specifications
 - "lematerial_triclinics.cif" contains 101,024 triclinic structures
@@ -50,3 +51,4 @@ We put an emphasis on this to underline the statement from Entalpic's own page t
 - "lematerial_trigonals.cif" contains 272,255 trigonal structures
 - "lematerial_hexagonals.cif" contains 97,285 hexagonal structures
 - "lematerial_cubics.cif" contains 571,308 cubic structures
+- "lematerial_metastables.cif" contains 506,837 metastable (Ehull <= 0.1 eV/atom) structures from any crystal system