Additional Computational data (related to "Functional materials discovery using energy–structure–function maps" manuscript)

Dataset supports: Pulido, Angeles et al. (2017) Functional materials discovery using energy–structure–function maps. Nature. Computational data related to landscape of predicted crystal structures (*_Predicted_Structures.cif files), energy-structure-function maps (*_ESF_maps.txt and T2_*.txt files) and thermal stability of predicted crystal structures (*_Thermal_Stability_Results.txt) and a master README file related to "Functional materials discovery using energy–structure–function maps" Nature manuscript.Funded by EPSRC (Chemical Synthesis of Transformative Extended Materials; EP/H000925/1).