{"id":"W2952413224","doi":"10.1021/jacs.9b05072","title":"Origin of Intrinsically Low Thermal Conductivity in Talnakhite Cu<sub>17.6</sub>Fe<sub>17.6</sub>S<sub>32</sub> Thermoelectric Material: Correlations between Lattice Dynamics and Thermal Transport","year":2019,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Advanced Thermoelectric Materials and Devices","field":"Materials Science","cited_by":76,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Materials Research Science and Engineering Center, Harvard University; Office of Science; National Key Research and Development Program of China; Higher Education Discipline Innovation Project; State Administration of Foreign Experts Affairs; Division of Materials Research; Central University of Finance and Economics; Ministry of Science and Technology of the People's Republic of China; Basic Energy Sciences; Ministry of Education of the People's Republic of China; National Natural Science Foundation of China; Northwestern University; Canada Excellence Research Chairs, Government of Canada; W. M. Keck Foundation; Division of Electrical, Communications and Cyber Systems; International Institute for Nanotechnology, Northwestern University; U.S. Department of Energy; National Science Foundation","keywords":"Chemistry; Thermal conductivity; Phonon; Thermoelectric materials; Thermoelectric effect; Anharmonicity; Debye model; Condensed matter physics; Lattice (music); Amorphous solid; Phonon scattering; Crystal structure; Thermodynamics; Crystallography; Physics","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.00118929,0.0005580285,0.001466906,0.0001058242,0.0001683805,0.00009499079,0.000880342,0.0002767958,0.0000565131],"category_scores_gemma":[0.0001111961,0.0004090651,0.0005456502,0.001005539,0.0008805024,0.0005938787,0.0002087428,0.0008653771,0.00001276605],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003750841,"about_ca_system_score_gemma":0.000312701,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00007981745,"about_ca_topic_score_gemma":0.00001548636,"domain_scores_codex":[0.9959649,0.0003628445,0.001416867,0.0005829843,0.0008392907,0.0008330951],"domain_scores_gemma":[0.9960595,0.0006037932,0.002251362,0.0005470278,0.0002831596,0.00025518],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0004440743,0.0002357091,0.009709155,0.00009370532,0.0001259183,0.000008362245,0.0004178247,0.0005562204,0.9832942,0.0000528076,0.00006154247,0.005000492],"study_design_scores_gemma":[0.001072307,0.0002871617,0.04996899,0.0001409709,0.0001916231,0.00005760319,0.0001348463,0.00110191,0.9461799,0.0003813901,0.00001769905,0.0004655492],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9977212,0.0001405276,0.0005254578,0.0003959033,0.0004086664,0.0005040205,0.0001638049,0.00005330702,0.00008711962],"genre_scores_gemma":[0.9983336,0.00029422,0.0004757486,0.0003344638,0.0004392978,0.00001284048,0.00001747564,0.00008235084,0.00001002386],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04025983,"threshold_uncertainty_score":0.9998361,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006976354357172215,"score_gpt":0.2304324906187823,"score_spread":0.2234561362616101,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}