Thermodynamic stability of quinary alloys

<p>This dataset describes the thermodynamic stability of over 65000 hypothetical quinary alloys from the combination of 40 metal elements:</p> <pre><code>['Ag', 'Al', 'As', 'Au', 'Bi', 'Cd', 'Co', 'Cr', 'Cu', 'Fe', 'Ga', 'Ge', 'Hf', 'Hg', 'In', 'Ir', 'Mg', 'Mn', 'Mo', 'Nb', 'Ni', 'Os', 'Pb', 'Pd', 'Pt', 'Re', 'Rh', 'Ru', 'Sb', 'Sc', 'Si', 'Sn', 'Ta', 'Te', 'Ti', 'V', 'W', 'Y', 'Zn', 'Zr']</code></pre> <p>&nbsp;</p> <p>The stability is assessed through a binary solid solution model for which the enthalpy of mixing is calculated using density functional theory. The binary interaction parameters used for calculating the enthalpy of mixing are provided as a json file (omegas.json). The highest possible synthesis temperature at 90% of the melting point is considered.</p> <p>In addition to the thermodynamic stability, the dataset provides (inverse) energy above hull, enthalpy of mixing, and structure phase among other properties.</p> <p>&nbsp;</p>