{"id":"W2783920796","doi":"10.1103/physrevb.97.045110","title":"Dual roles of <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:mrow><mml:mi>f</mml:mi></mml:mrow></mml:math> electrons in mixing Al <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:mrow><mml:mn>3</mml:mn><mml:mi>p</mml:mi></mml:mrow></mml:math> character into <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:mrow><mml:mi>d</mml:mi></mml:mrow></mml:math>-orbital conduction bands for lanthanide and actinide dialuminides","year":2018,"lang":"lv","type":"article","venue":"Physical review. B./Physical review. B","topic":"Rare-earth and actinide compounds","field":"Physics and Astronomy","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"Canadian Light Source (Canada)","funders":"Los Alamos National Laboratory; Lawrence Berkeley National Laboratory; Western Economic Diversification Canada; Canadian Light Source; Basic Energy Sciences; Natural Sciences and Engineering Research Council of Canada; Division of Materials Sciences and Engineering; Canadian Institutes of Health Research; National Energy Research Scientific Computing Center; Office of Science; National Research Council Canada; Canada Foundation for Innovation; U.S. Department of Energy","keywords":"Atomic orbital; Physics; Electron; Machine learning; Quantum mechanics; Computer science","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":["metaepi_narrow","sts","scholarly_communication","research_integrity","insufficient_payload"],"consensus_categories":["metaepi_narrow","sts","research_integrity","insufficient_payload"],"category_scores_codex":[0.003785537,0.0023091,0.001559955,0.0006496477,0.002538745,0.002132284,0.00325647,0.002329168,0.02492932],"category_scores_gemma":[0.003442208,0.003642248,0.00502428,0.002116336,0.003173818,0.00364889,0.003182508,0.003837169,0.004740913],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005232736,"about_ca_system_score_gemma":0.002805614,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001473415,"about_ca_topic_score_gemma":0.0008058133,"domain_scores_codex":[0.9823723,0.001025505,0.004298009,0.003795825,0.003942117,0.004566185],"domain_scores_gemma":[0.9843456,0.003824623,0.005182774,0.004038245,0.000491748,0.002117009],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001747224,0.001351032,0.00002544423,0.006358608,0.002535916,0.0007462487,0.002178475,0.0001689491,0.01123787,0.9041785,0.06131474,0.008156973],"study_design_scores_gemma":[0.003282944,0.004703273,0.0002138948,0.0109049,0.004819973,0.001335232,0.001927892,0.2411995,0.7004283,0.001094827,0.02633723,0.003752068],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9083794,0.006008206,0.0007649808,0.001389192,0.002827086,0.0002370342,0.0008210844,0.0003938811,0.07917914],"genre_scores_gemma":[0.9700566,0.01005456,0.00178077,0.002705179,0.007143999,0.003542294,0.00312522,0.001372132,0.0002192392],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.9030837,"threshold_uncertainty_score":0.999539,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01964089776550948,"score_gpt":0.2795409957709512,"score_spread":0.2599000980054417,"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."}}