diff --git a/trimsp/src/TrimSPGUI/Chem.pm b/trimsp/src/TrimSPGUI/Chem.pm index f19b235..700b029 100644 --- a/trimsp/src/TrimSPGUI/Chem.pm +++ b/trimsp/src/TrimSPGUI/Chem.pm @@ -533,7 +533,7 @@ sub Elastof { } sub Stopicru { -# Given the element it returns A-1 to A-5 of the ziegler tables +# Given the element it returns "A-1, A-2, A-3, A-4, A-5" of the ziegler tables my ($El) = @_; my %Stopicru = ( @@ -634,4 +634,32 @@ sub Stopicru { return $Stopicru{$El}; } +sub Densities { +# Database of densities for different compounds + my ($Compound) = @_; + + my %Densities = ( + "NbN",8.47, + "Bi2Se3",7.51, + "N2",1.145, + "ZnO",5.61, + "SiO2",2.65, + "TiO2",4.26, + "KTaO3",6.967, + "LaAlO3",6.70, + "Al2O3",3.98, + "SrTiO3",5.12, + "NbSe2",6.30, + "MgO",3.58, + "YBa2Cu3O7",6.54, + "GaAs",5.32, + "Si",2.33, + "Mn12-Acetate",1.65, + "C60",1.65, + "","" + ); + return $Densities{$Compound}; +} + 1; + diff --git a/trimsp/src/TrimSPGUI4/Chem.pm b/trimsp/src/TrimSPGUI4/Chem.pm index f19b235..700b029 100644 --- a/trimsp/src/TrimSPGUI4/Chem.pm +++ b/trimsp/src/TrimSPGUI4/Chem.pm @@ -533,7 +533,7 @@ sub Elastof { } sub Stopicru { -# Given the element it returns A-1 to A-5 of the ziegler tables +# Given the element it returns "A-1, A-2, A-3, A-4, A-5" of the ziegler tables my ($El) = @_; my %Stopicru = ( @@ -634,4 +634,32 @@ sub Stopicru { return $Stopicru{$El}; } +sub Densities { +# Database of densities for different compounds + my ($Compound) = @_; + + my %Densities = ( + "NbN",8.47, + "Bi2Se3",7.51, + "N2",1.145, + "ZnO",5.61, + "SiO2",2.65, + "TiO2",4.26, + "KTaO3",6.967, + "LaAlO3",6.70, + "Al2O3",3.98, + "SrTiO3",5.12, + "NbSe2",6.30, + "MgO",3.58, + "YBa2Cu3O7",6.54, + "GaAs",5.32, + "Si",2.33, + "Mn12-Acetate",1.65, + "C60",1.65, + "","" + ); + return $Densities{$Compound}; +} + 1; +