Science Advances

Supplementary Materials

The PDFset includes:

  • Single-crystal diffraction analysis
  • Fig. S1. Stability of SrB3C3 and analysis of different possible stoichiometries.
  • Fig. S2. SEM and EDS measurements.
  • Fig. S3. Raw XRD patterns.
  • Fig. S4. Sr-B-C phase identification.
  • Fig. S5. Optical images of SrB3C3 during synthesis near 50 GPa.
  • Fig. S6. Electronic structures for SrB3C3.
  • Fig. S7. Phonon dispersion curves and energetic stabilities as a function of pressure.
  • Fig. S8. Fourier difference map (Fobs-Fcalc) from single-crystal analysis.
  • Table S1. Comparison of single-crystal diffraction refinement quality indicators for different “colorings” of clathrate framework in crystal structure models of the SrB3C3 clathrate.
  • Table S2. Calculated Bader partial charges of the SrB3C3 clathrate at 0 GPa.
  • Table S3. Calculated structural parameters of Sr-B-C phases.
  • Table S4. SrB3C3 lattice parameters during decompression.

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Other Supplementary Material for this manuscript includes the following:

  • Data file S1. CIF file of the single-crystal XRD data and the best model of the crystal structure for the SrB3C3 clathrate.

Files in this Data Supplement: