MX2 monolayers in space group P-3m1 are identified as orbital-obstructed atomic insulators whose finite hexagonal flakes show a bulk-predicted filling anomaly of two, four, or eight electrons.
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Two-dimensional orbital-obstructed insulators with higher-order band topology
MX2 monolayers in space group P-3m1 are identified as orbital-obstructed atomic insulators whose finite hexagonal flakes show a bulk-predicted filling anomaly of two, four, or eight electrons.