Time stamp: Thu Mar 11 08:55:14 2021

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   3.533   2.882      30.417       6.386       Calcite (CaCO3) (ICSD 52151)
   3.204   3.993   2.865      24.625     -10.581       Fluorite (CaF2)
   2.342   2.757   2.332      17.720      -0.427       Gypsum (CaSO4 2H2O)
   3.159   3.295   3.219       4.305       1.899       Hydroxylapatite (Ca5(PO4)3(OH))
   3.516   3.515   3.440      -0.028      -2.162       Diamond (C)
   2.777   2.743   2.432      -1.224     -12.423       Talc (MgO)3(SiO2)4(H2O)
   2.581   2.547   2.272      -1.317     -11.972       Orthoclase (KAlSi3O8)
   2.649   2.578   2.238      -2.680     -15.515       Alpha quartz (SiO2)
   3.539   3.293   4.753      -6.951      34.303       Topaz (Al2SiO4F2)
   3.989   3.374   3.926     -15.417      -1.579       Corundum (Al2O3)