{"id":"W4408624262","doi":"10.1039/d4cp04036h","title":"Janus group V1B-based pnictogen-halide monolayers: a new class of multifunctional quantum materials from first-principles predictions","year":2025,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Machine Learning in Materials Science","field":"Materials Science","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary; University of Saskatchewan; National Research Council Canada","funders":"Division of Materials Research; Natural Sciences and Engineering Research Council of Canada; National Science Foundation","keywords":"Pnictogen; Janus; Halide; Class (philosophy); Monolayer; Quantum; Materials science; Chemistry; Nanotechnology; Physics; Computer science; Condensed matter physics; Quantum mechanics; Organic chemistry; Superconductivity; Artificial intelligence","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":[0.00007483402,0.0001594544,0.0002078672,0.0001542852,0.000202478,0.0003679517,0.0002503001,0.0002609287,0.0006316238],"category_scores_gemma":[0.00007630129,0.0001618839,0.0001311881,0.00009430718,0.0001513106,0.0003404783,0.0001934692,0.0002514159,0.0001034244],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001655276,"about_ca_system_score_gemma":0.0001409996,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002226304,"about_ca_topic_score_gemma":0.0005974854,"domain_scores_codex":[0.9999793,0.000003969334,0.000001122443,0.000003480126,0.0000084346,0.000003698443],"domain_scores_gemma":[0.999985,0.000005037183,0.00000235519,0.00000313155,0.000002461374,0.000002010864],"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":[0.0000908518,0.00008974558,0.001810366,0.0007305417,0.00008075441,0.0004958075,0.0001465522,0.05023145,0.8412635,0.07660481,0.0008908373,0.02756492],"study_design_scores_gemma":[0.00005314986,0.0003312601,0.002714716,0.00003385645,0.00004201855,0.0003283529,0.0001220336,0.7285721,0.2393285,0.0171427,0.01128858,0.00004276111],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9547666,0.001737764,0.0352601,0.0002191347,0.00004162656,0.00005576916,0.0001536386,0.0001690481,0.007596303],"genre_scores_gemma":[0.9697883,0.0009900314,0.0276151,0.0000510491,0.000009979512,0.00006880592,0.0001821685,0.00002864726,0.001265849],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0006316238,"threshold_uncertainty_score":0.002112985,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01873262604059628,"score_gpt":0.2584076158298408,"score_spread":0.2396749897892446,"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."}}