Science Advances

Supplementary Materials

The PDF file includes:

  • Calculation details
  • Single-crystal XRD measurements
  • Fig. S1. Band structure of Co3Sn2S2 with different strength of SOC.
  • Fig. S2. Surface band structure of Co3Sn2S2 with different strength of SOC.
  • Fig. S3. The surface states contributed by S atoms, and Sn atoms, respectively.
  • Fig. S4. The surface states of Co3Sn2S2 with S termination.
  • Fig. S5. Polarization curves of a Cu wire with silver paint and Co3Sn2S2 crystal.
  • Fig. S6. Stability test of the crushed single-crystal catalyst on Ni foam.
  • Fig. S7. SEM image of the crystal.
  • Fig. S8. EDS spectra of the Co3Sn2S2 single crystal.
  • Fig. S9. Powder XRD measurement of the crushed single crystal.
  • Fig. S10. Crystal structure of Co3Sn2S2 at 100 K.
  • Fig. S11. TEM image of the single crystal prepared using the FIB technique.
  • Fig. S12. ZFC/FC curves for the single crystal.
  • Fig. S13. XPS survey spectrum of the bulk single crystal.
  • Fig. S14. High-resolution XPS spectra of Sn 3d.
  • Fig. S15. The Co atoms (red) in Co3Sn2S2 are octahedrally coordinated.
  • Fig. S16. The adsorption position of OH group on the crystal surface.
  • Fig. S17. The adsorption position of H atom on the Co3Sn2S2 single-crystal surface.
  • Table S1. Crystallographic and refinement parameters of Co3Sn2S2.
  • Table S2. Fractional atomic coordinates of the crystal.
  • Table S3. Selected interatomic distances.
  • References (4447)

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Other Supplementary Material for this manuscript includes the following:

  • Data S1 (.cif file). Crystallographic information file obtained at 100 K.
  • Data S2 (.cif file). Crystallographic information file obtained at 300 K.

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