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. 2021 May 21;7(21):eabg1449. doi: 10.1126/sciadv.abg1449

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Copyright © 2021 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution NonCommercial License 4.0 (CC BY-NC).

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Fig. 4 — Reported κ_l of (A) AMg₂Sb₂ and (B) AMg₂Bi₂ from (24, 44–46) compared with our TDEP simulations. κ_l of Mg₃X₂ is two to three times lower than in the Ca or Yb compounds in both experiments and simulations. Comparison of phonon linewidths from TDEP for (C) AMg₂Sb₂ and (D) AMg₂Bi₂. Binary compounds exhibit a factor of 2 to 3 larger linewidths, similar to the ratio in κ_l. (E) Spectrally decomposed κ_l in Mg₃Sb₂ and CaMg₂Sb₂. Inset shows the corresponding weighted phase-space (W). A three times larger W is observed in Mg₃Sb₂ below 10 meV. (F) κ_l comparison of Mg₃Sb₂ and CaMg₂Sb₂. Red and orange markers are the same κ_l in (A). Blue, green, and black hollow markers represent the κ_l when replacing v_g, τ, and C_v with the values from CaMg₂Sb₂ (details in the main text).