Data from: Multiband semimetallic electronic structure of superconducting Ta2PdSe5

We report the electronic structure and related properties of the
superconductor Ta2PdSe5 as determined from density functional
calculations. The Fermi surface has two disconnected sheets, both derived
from bands of primarily chalcogenide p states. These are a corrugated hole
cylinder and a heavier complex shaped electron sheet. The sheets contain
0.048 holes and a compensating number of electrons per formula unit,
making the material a semimetallic superconductor. The results support the
presence of two band superconductivity, although a discrepancy in the
specific heat is noted. This discrepancy is discussed as a possible
consequence of Pd deficiency in samples.