Table 1 feQBIs in the four Wyckoff-mismatched SGs.

“Wyckoff multiplicities” denotes the number of lattice points per primitive unit cell required to form an SG symmetric lattice corresponding to one of the Wyckoff positions. νAI and νBand respectively denote the electron fillings consistent with atomic and band insulators, and their discrepancy corresponds to feQBIs.

Space groupWyckoff multiplicities (5)νAIνBand
No. 199 (I 213)4, 6, 124ℕ\{4}4ℕ
No. 214 (I 4132)4, 4, 6, 6, 8, 12, 12, 12, 244ℕ\{4}4ℕ
No. 220 (I Embedded Image 3d)6, 6, 8, 12, 244ℕ\{4, 8, 20}4ℕ\{4}
No. 230 (I a Embedded Image d)8, 8, 12, 12, 16, 24, 24, 488ℕ\{8}8ℕ