Fig. 2: Comparison of material representation vectors between the OQMD and MP structures.
From: Identification of high-dielectric constant compounds from statistical design
The difference in material representation vectors of the structures obtained from OQMD and MP for 1717 materials. a Mean absolute difference in the Magpie-generated representational feature vectors on structures obtained from the MP and OQMD for 1717 materials in the training-data. Crystal structures of all 1717 materials were first obtained from MP as a part of generating training-data, and further cross-referenced to find their equivalent structures in OQMD based on their ICSD Collection Codes. ICSD Collection Codes were not available for the rest of the 143 materials in the MP training-data. b Difference in band gap values of 1717 materials from training-data that have a corresponding structure entry in MP and OQMD, which are cross-referenced based on their ICSD Collection Codes.
