Time stamp: Sun Jul 12 17:26:47 2020

Minerals in Mohs Scale Predicted using PM7 with X-Ray

(All solids - Periodic Table - Home - PM7 and PM6-D3H4 Accuracy - Manual)

      Comparison of Densities in order of error in PM7

    Ref     PM7   PM6-D3H4   PM7%err   PM6-D3H4%err      Data-set name
   2.709   3.536   2.883      30.528       6.423       Calcite (CaCO3) (ICSD 52151)
   3.204   3.974   2.866      24.032     -10.549       Fluorite (CaF2)
   2.342   2.764   2.276      18.019      -2.818       Gypsum (CaSO4 2H2O)
   3.159   3.299   3.219       4.432       1.899       Hydroxylapatite (Ca5(PO4)3(OH))
   3.516   3.503   3.440      -0.370      -2.162       Diamond (C)
   2.777   2.747   2.432      -1.080     -12.423       Talc (MgO)3(SiO2)4(H2O)
   2.581   2.546   2.268      -1.356     -12.127       Orthoclase (KAlSi3O8)
   2.649   2.578   2.238      -2.680     -15.515       Alpha quartz (SiO2)
   3.539   3.292   4.616      -6.979      30.432       Topaz (Al2SiO4F2)
   3.989   3.374   3.927     -15.417      -1.554       Corundum (Al2O3)