Organization of HPDF database - pdera/HPDF-file-format GitHub Wiki

P. Dera

If properties such as chemical composition (e.g. Mg2SiO4 or Mg1.8Fe0.2SiO4) and phase (olivine, wadsleyite, ringwoodite, or alpha, beta, gamma) are specified by separate keywords, then a database of JCPDS/HPDF files (with single entries corresponding to one composition/phase) could be automatically searched for all existing alternative entries corresponding to the same phase and composition. Currently in JCPDS these (phase and composition) are either identified by file name or in the comment keyword, which is not optimal.