{"id":"W2006413965","doi":"10.1142/s0219633614500217","title":"First principles study on energetic, structural, and electronic properties of defective g-<font>C</font><sub>3</sub><font>N</font><sub>4</sub>-zz3 nanotubes","year":2014,"lang":"en","type":"article","venue":"Journal of Theoretical and Computational Chemistry","topic":"MXene and MAX Phase Materials","field":"Materials Science","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"University of Toronto; Government of Ontario; Compute Canada","keywords":"Vacancy defect; Atom (system on chip); Density functional theory; Nanotube; Font; Electronic structure; Materials science; Range (aeronautics); Atomic physics; Carbon nanotube; Molecular physics; Chemistry; Crystallography; Nanotechnology; Physics; Computational chemistry","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":[0.0008736026,0.0003378454,0.0006561912,0.00006659666,0.0002295894,0.0001537803,0.0002724533,0.0001297235,0.00006214426],"category_scores_gemma":[0.0003537056,0.0002399126,0.0001286249,0.00008309166,0.0006172393,0.0001734721,0.0001665647,0.0002451745,0.000003985864],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007886132,"about_ca_system_score_gemma":0.0001562764,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004687385,"about_ca_topic_score_gemma":0.000003821167,"domain_scores_codex":[0.9975539,0.0002057326,0.0008234188,0.0003873807,0.0006416576,0.0003878367],"domain_scores_gemma":[0.9983839,0.0003688904,0.0004813301,0.0001792967,0.0003716309,0.0002150004],"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":[0.0008765946,0.0002824045,0.000245665,0.0002250682,0.0001020349,0.00001101636,0.000349341,0.002901637,0.9771371,0.0174762,0.00004219142,0.0003507326],"study_design_scores_gemma":[0.001328334,0.0008667862,0.002131835,0.0002144751,0.0001199893,0.0001766711,0.0001956862,0.001300999,0.9457604,0.04757901,0.00004733445,0.0002784973],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9983298,0.0003672476,0.0004241705,0.0002632218,0.0001627931,0.0002005844,0.00002405388,0.00002187682,0.0002063164],"genre_scores_gemma":[0.9992872,0.00007686776,0.0001743611,0.00009237584,0.0003182426,0.00001333664,0.000005305022,0.0000258045,0.000006457037],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03137673,"threshold_uncertainty_score":0.9783353,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008515534791928363,"score_gpt":0.2191557312833609,"score_spread":0.2106401964914326,"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."}}