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Charge density wave instability and pressure-induced superconductivity in bulk <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mn>1</mml:mn><mml:mi>T</mml:mi><mml:mo>โ</mml:mo><mml:mi>Nb</mml:mi><mml:msub><mml:mi mathvariant="normal">S</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>
Charge-density-wave (CDW) instability and pressure-induced superconductivity in bulk 1T-NbS2 are predicted theoretically by first-principles calculations. We reveal a CDW instability towards the formation of a stable commensurate CDW order, resulting in a sqart(13)*sqart(13) structural reconstruction featured with star-of-David clusters. The CDW phase exhibits one-dimensional metallic behavior with in-plane flat-band characteristics, โฆ