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. 2016 Oct 13;1(4):617–627. doi: 10.1016/j.chempr.2016.09.010

Table 2.

Data Sources for SMACT

Data Type Source
Abundance estimated crustal abundance of elements from the CRC Handbook of Physics and Chemistry53
Atomic mass NIST Standard Reference Database 144;54 where the relative abundance of isotopes was unknown or a range of values was provided, a simple mean was taken
Covalent radius scientific paper55
Electron affinity scientific paper;56 no default value was used for elements that lack data on electron affinity
Eigenvalues highest occupied p-state and s-state eigenvalues were tabulated by Harrison57 from the approximate Hartree-Fock calculations of Herman and Skillman58
HHI elemental Herfindahl-Hirschman Index calculated from geological and geopolitical data33
Ionization potential NIST Atomic Spectra Database59
Pauling electronegativity updated values of electronegativity on Pauling's scale were compiled in the CRC Handbook;53 for elements 95 (Am) and above, Pauling's recommended value of 1.3 was used;60 the value for krypton (3.0) was derived from the bond energy of KrF2 and reported in a scientific paper61
SSE “solid-state energy” model of semiconductors and dielectrics29, 30
SSE (Pauling) extended estimates of solid-state energy from the correlation between known values and Pauling electronegativity30

Where possible, values recommended by the National Institute of Standards and Technology (NIST) were used.