  Within 4 different crystal structures, 2280 ternary intermetallic
configurations have been investigated via high-throughput density functional
theory calculations in order to discover new semiconducting materials. The
screening is restricted to intermetallics with the equimolar composition TMX,
where T is a transition metal from the Ti, V, Cr columns, Sr, Ba, Y and La, M
an element from the first line of transition metals and X a sp elements (Al, P,
Si, Sn and Sb), i.e. to a list of 24 possible elements. Since the calculations
are done combinatorically, every possible ternary composition is considered,
even those not reported in the literature. All these TMX configurations are
investigated in the 4 most reported structure-types: TiNiSi, MgAgAs, BeZrSi and
ZrNiAl. With an excellent agreement between calculations and literature for the
reported stable phases, we identify 472 possible stable compounds among which
21 are predicted as non-metallic. Among these 21 compositions, 4 could be
considered as new semiconductors.
