{"id":"W4413415952","doi":"10.1002/cmtd.202500021","title":"Unique Mixed Valence Behavior of Tantalum and Electronic Structure of the Novel P <sub>1−x</sub> Ta <sub>8+x</sub> N <sub>13</sub> (X = 0.1–0.15) Using Density Functional Theory and Soft X‐Ray Spectroscopy","year":2025,"lang":"en","type":"article","venue":"Chemistry - Methods","topic":"MXene and MAX Phase Materials","field":"Materials Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Canadian Light Source (Canada); University of Saskatchewan","funders":"Natural Sciences and Engineering Research Council of Canada; Alliance de recherche numérique du Canada; Canadian Light Source","keywords":"Tantalum; Valence (chemistry); Materials science; Electronic structure; Crystallography; Atomic physics; Condensed matter physics; Chemistry; Physics; Metallurgy","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"],"consensus_categories":[],"category_scores_codex":[0.002375155,0.0005279313,0.0008401134,0.00008575432,0.0003368944,0.0001035216,0.0004680396,0.0004212955,0.00008448096],"category_scores_gemma":[0.0006469534,0.0004511666,0.0001707187,0.0004220886,0.0008865592,0.0002190306,0.0005498169,0.0004234437,8.218619e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001706071,"about_ca_system_score_gemma":0.0006358669,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001943999,"about_ca_topic_score_gemma":0.00001373738,"domain_scores_codex":[0.9965332,0.0006677289,0.0007953408,0.0009027384,0.000414836,0.0006862126],"domain_scores_gemma":[0.9975882,0.0005421668,0.0006094442,0.0008392276,0.0002667984,0.0001541662],"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":[0.0002703672,0.0001230297,0.0002748331,0.0006643735,0.00005858693,0.000003622364,0.00009144027,0.00003644562,0.9964859,0.0004057952,0.00005883108,0.001526738],"study_design_scores_gemma":[0.0007725413,0.0000464804,0.003410998,0.000217659,0.0004083666,0.0001111199,0.00009688123,0.0001127148,0.9888408,0.005575113,0.00002170049,0.0003855801],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9540024,0.00051472,0.04400201,0.00003312148,0.0005711304,0.0004490709,0.0003246944,0.00006013031,0.00004273142],"genre_scores_gemma":[0.9899784,0.0001501449,0.009502149,0.0001078235,0.0001414286,0.00002700137,0.00002881091,0.00004576088,0.00001845013],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03597604,"threshold_uncertainty_score":0.999794,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01379405044455794,"score_gpt":0.2933300123355539,"score_spread":0.2795359618909959,"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."}}