{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002054474,0.0002176228,0.0001720219,0.0003283904,0.0006546305,0.00120012,0.0006155265,0.0005838182,0.008690413],"category_scores_gemma":[0.0004043097,0.0002040165,0.0001916348,0.0002261968,0.0005063931,0.00128528,0.0006105423,0.0005279963,0.0009127485],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004846079,"about_ca_system_score_gemma":0.0003109068,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006975244,"about_ca_topic_score_gemma":0.001757081,"domain_scores_codex":[0.9998773,0.00002701761,0.000007089131,0.00002942626,0.00003353221,0.00002569788],"domain_scores_gemma":[0.9999174,0.00003166831,0.0000101224,0.00001984902,0.00001085061,0.00001016619],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0006731609,0.0001402732,0.002526533,0.0003042927,0.00002469138,0.0003662292,0.0006411684,0.005676861,0.3308012,0.5901099,0.004336572,0.06439897],"study_design_scores_gemma":[0.0002026203,0.0003528719,0.005236832,0.0001311533,0.00007423105,0.001091944,0.001429246,0.1030418,0.6846023,0.1459258,0.0578061,0.0001050999],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8433644,0.0009467425,0.05560064,0.001169524,0.0001116533,0.00004792991,0.0004214324,0.0003751337,0.09796255],"genre_scores_gemma":[0.9687515,0.0004073235,0.01774357,0.0001578692,0.000009356042,0.00004547969,0.0001981476,0.0001313625,0.01255544],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008690413,"threshold_uncertainty_score":0.02907234,"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."}}