{"id":"W2553106387","doi":"10.1038/srep37654","title":"Thermodynamic origin of instability in hybrid halide perovskites","year":2016,"lang":"en","type":"article","venue":"Scientific Reports","topic":"Perovskite Materials and Applications","field":"Engineering","cited_by":102,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"Natural Sciences and Engineering Research Council of Canada; Compute Canada; Lakehead University","keywords":"Perovskite (structure); Halide; Instability; Solubility; Degradation (telecommunications); Decomposition; Materials science; Chemical stability; Ab initio; Solar cell; Perovskite solar cell; Chemical physics; Chemistry; Thermodynamics; Chemical engineering; Physical chemistry; Inorganic chemistry; Computer science; Physics; Organic chemistry; Optoelectronics","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005907862,0.00008279832,0.0001395639,0.00009037222,0.00003311674,0.00003815023,0.00009490316,0.00002373404,0.0001932291],"category_scores_gemma":[0.00004782264,0.00005766467,0.00003826169,0.0001889222,0.0001355737,0.0001183274,0.00002642705,0.00002717043,0.00001755541],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005877458,"about_ca_system_score_gemma":0.00003092616,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000322022,"about_ca_topic_score_gemma":0.00005821532,"domain_scores_codex":[0.9990032,0.000014084,0.0003956621,0.0002721705,0.0001442161,0.0001706178],"domain_scores_gemma":[0.999246,0.00002707734,0.00006178312,0.0005859343,0.00003954259,0.00003968282],"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":[9.684652e-7,0.00002466961,0.007637452,0.00002523541,0.000002826343,0.00001243021,0.00005447656,0.0001316101,0.9881687,0.0001927308,0.0003719753,0.003376949],"study_design_scores_gemma":[0.0002218295,0.00001073909,0.06303827,0.0001342224,0.000008239957,0.00006714726,0.00003002285,0.001814558,0.8761173,0.03275593,0.02547783,0.0003238824],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9958275,0.00004943504,0.0007574934,0.00004090612,0.00119453,0.0001398096,0.00001475578,0.00008592739,0.001889642],"genre_scores_gemma":[0.9995444,0.000005388948,0.0001622444,0.000001522945,0.00001626138,0.0000287113,0.000008689959,0.0000112639,0.00022146],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1120514,"threshold_uncertainty_score":0.2351497,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01084713326187021,"score_gpt":0.2257987597693885,"score_spread":0.2149516265075183,"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."}}