Published May 25, 2026 | Version v2
Dataset Open

The BOS-TMC Dataset: DFT Properties of 159k Experimentally Characterized Transition Metal Complexes Spanning Multiple Charge and Spin States

Authors/Creators

  • 1. ROR icon Massachusetts Institute of Technology
  • 2. ROR icon Technical University of Munich

Description

Contains structures and properties for the BOS-TMC dataset of 159k transition metal complexes in multiple charge and spin states.

Files

Files (18.4 GB)

Name Size
md5:c93571115e3ac9f0dbcaff22fd68a5a8
18.4 GB Download