{"id":"W2004947090","doi":"10.1088/0953-8984/25/16/165505","title":"Variation of Zr-L<sub>2,3</sub>XANES in tetravalent zirconium oxides","year":2013,"lang":"en","type":"article","venue":"Journal of Physics Condensed Matter","topic":"Nuclear materials and radiation effects","field":"Materials Science","cited_by":38,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan; Canadian Light Source (Canada)","funders":"Canadian Institutes of Health Research","keywords":"Multiplet; Tetragonal crystal system; Zirconium; Monoclinic crystal system; XANES; Ab initio; Coordination number; Crystallography; Materials science; Spectral line; Ab initio quantum chemistry methods; Ion; Chemistry; Inorganic chemistry; Crystal structure; Physics; Molecule","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":[0.000417369,0.0001236097,0.0003348037,0.0001024355,0.00002823051,0.00008344189,0.0001545469,0.00006296564,0.0008183982],"category_scores_gemma":[0.00002910629,0.00009916439,0.00008791575,0.0000969031,0.00005584545,0.0005113495,0.00002903855,0.0001003234,0.0005113173],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004335039,"about_ca_system_score_gemma":0.00004797352,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000255999,"about_ca_topic_score_gemma":0.000001474154,"domain_scores_codex":[0.9986786,0.0001418844,0.000591615,0.0001165004,0.0002907868,0.0001805864],"domain_scores_gemma":[0.9987935,0.0001073312,0.000662544,0.0001446148,0.0002324374,0.00005951203],"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":[0.00002513724,0.00009237525,0.0006048984,0.00008549976,0.00001257846,0.000004155248,0.0003517864,0.0002792206,0.9968945,0.0002043555,0.001133844,0.0003116231],"study_design_scores_gemma":[0.0005254353,0.00007321857,0.142842,0.00008092268,0.0000184397,0.00001621651,0.00003800257,0.00006016582,0.8531735,0.003025955,0.00004514786,0.0001010172],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9981865,0.00002877322,0.0003665573,0.0003731893,0.0007265412,0.0001848501,0.00000607445,0.0000071573,0.00012035],"genre_scores_gemma":[0.9988736,0.00001105848,0.000468372,0.0003392406,0.0002635196,0.000005824692,9.236738e-7,0.00001913805,0.00001834201],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.143721,"threshold_uncertainty_score":0.8960887,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006341184617470314,"score_gpt":0.2033661480234515,"score_spread":0.1970249634059812,"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."}}