{"id":"W4417440319","doi":"10.1021/acs.jpcc.5c05803","title":"Low Frequency Vibrational Modes of Two-Dimensional Lead-Free Metal Halide Double Perovskites","year":2025,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Perovskite Materials and Applications","field":"Engineering","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Army Research Office; Basic Energy Sciences; Government of Alberta; Natural Sciences and Engineering Research Council of Canada; Canada Foundation for Innovation; National Science Foundation","keywords":"Raman spectroscopy; Density functional theory; Perovskite (structure); Molecular vibration; Crystal (programming language); Halide; Phonon; Octahedron; Exciton","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00008147161,0.0002340298,0.0002208572,0.0002146551,0.0002699248,0.000539964,0.0006014457,0.0002804488,0.001882339],"category_scores_gemma":[0.0001616615,0.0002915443,0.0001910413,0.0001597972,0.0003177492,0.0003401267,0.0003037795,0.0003527438,0.0002072836],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003551262,"about_ca_system_score_gemma":0.0003185554,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001719903,"about_ca_topic_score_gemma":0.002017718,"domain_scores_codex":[0.9999422,0.000006055941,0.000002809254,0.00001021167,0.00002444483,0.00001430133],"domain_scores_gemma":[0.9999576,0.00001147047,0.000008729143,0.000004426327,0.000008197761,0.000009588359],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0005617319,0.0003049996,0.00675274,0.0007899999,0.0001248265,0.001289133,0.0003489273,0.2766279,0.6874949,0.01090475,0.001327952,0.01347212],"study_design_scores_gemma":[0.0003158527,0.000311518,0.003679329,0.00001351372,0.00003214136,0.0002626116,0.0002549988,0.9038215,0.08772632,0.00202844,0.001509087,0.00004472031],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9945767,0.00008891016,0.002628828,0.00006059395,0.000007996308,0.000008109391,0.0001443566,0.00007231662,0.002412241],"genre_scores_gemma":[0.9964948,0.00006500562,0.002589007,0.00001518235,0.000002258369,0.00002171737,0.0002067851,0.00001018077,0.0005950438],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001882339,"threshold_uncertainty_score":0.006297052,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008397985760580219,"score_gpt":0.2380129187840946,"score_spread":0.2296149330235144,"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."}}