Science Advances

Supplementary Materials

This PDF file includes:

  • Table S1. Crystal structure of predicted Pr-H phases.
  • Table S2. Experimental parameters of DACs.
  • Table S3. Experimental cell parameters and volumes of lower praseodymium hydrides along with calculated cell volumes (VDFT).
  • Table S4. Experimental cell parameters and volumes of two praseodymium superhydrides along with calculated cell volumes (VDFT).
  • Table S5. EoS of metallic Pr from reference.
  • Table S6. Calculated EoS parameters of third Birch-Murnaghan equation for all studied Pr-H phases.
  • Fig. S1. Calculated convex hulls for Pr-H system at various pressures.
  • Fig. S2. Convex hulls without and with ZPE correction of found praseodymium hydrides at 120 GPa.
  • Fig. S3. Experimental XRD patterns dependence of pressure in the range of 0 to 130 GPa.
  • Fig. S4. Pressure dependence of the nearest H-H distances and nearest Pr-H distances from experimental cell parameters.
  • Fig. S5. Raman spectra of Z1 cell under decompression.
  • Fig. S6. Calculated phonon density of states and band structure for PrH9.
  • Fig. S7. Calculated phonon density of states and band structure for PrH8 and PrH3.
  • Fig. S8. Electron density of states for PrH3.
  • Fig. S9. Enlarged figure of electrical resistance measurements of PrH9 in sample 2.
  • Fig. S10. Calculated superconducting parameters of F4¯3m-PrH9 at 120 GPa as a function of electronic smearing σ and the pseudopotential.
  • Fig. S11. Eliashberg spectral functions, the electron-phonon integral λ(ω), and critical transition temperature Tc(ω) calculated at 120 GPa for cubic PrH9 with σ = 0.035 Ry.
  • Fig. S12. Calculated superconductivity of hexagonal PrH9 by Eliashberg spectral functions at 120 GPa.
  • References (6367)

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