This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

  • database_heat_capacity.zip: The predicted heat capacity of materials in QMOF, CoREMOF, IZA, and CURATED-COFs between 250K to 400K.
  • DFT_calculations.zip: heat capacity, crystal structure, and phonon calculations output of the MOFs, COFs, and zeolites in the DFT set
  • Figures.zip: the data and codes to generate the figures of the paper in the main text.
  • ML.zip: Structures and features used for machine learning prediction of the heat capacity.
  • README.txt: Description of the files in the repository.