{"id":"W2004367138","doi":"10.1021/jp901467v","title":"Analysis of Metal Site Preference and Electronic Structure of Brownmillerite-Phase Oxides (A<sub>2</sub>B<i>′</i><sub><i>x</i></sub>B<sub>2−<i>x</i></sub>O<sub>5</sub>; A = Ca, Sr; B′/B = Al, Mn, Fe, Co) by X-ray Absorption Near-Edge Spectroscopy","year":2009,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Magnetic and transport properties of perovskites and related materials","field":"Materials Science","cited_by":56,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University; Brockhouse Institute for Materials Research","funders":"","keywords":"XANES; Brownmillerite; Octahedron; Crystallography; Coordination number; Transition metal; Chemistry; Spectral line; Metal; Analytical Chemistry (journal); Extended X-ray absorption fine structure; K-edge; Absorption spectroscopy; Materials science; Crystal structure; Ion; Physics","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0008481192,0.0009208042,0.002023056,0.0001570119,0.0003893201,0.0002228574,0.0009117338,0.0004332815,0.0001586568],"category_scores_gemma":[0.00008589275,0.000664058,0.0007845789,0.000811764,0.0009524508,0.0005648013,0.0001249819,0.001068872,0.00001897475],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001606386,"about_ca_system_score_gemma":0.0003246438,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003234583,"about_ca_topic_score_gemma":0.00001712986,"domain_scores_codex":[0.9946969,0.0002807922,0.001790468,0.0008107195,0.001275619,0.001145478],"domain_scores_gemma":[0.996097,0.0002113592,0.001854008,0.000812711,0.0005262645,0.0004986132],"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":[0.001695496,0.0008763117,0.0000252907,0.0003566528,0.0007636297,0.00002294921,0.0005994839,0.001016646,0.9924845,0.00001519791,0.0006896094,0.001454212],"study_design_scores_gemma":[0.002334478,0.001400949,0.0006765773,0.0002626658,0.003104281,0.00008564922,0.0001150108,0.0006695,0.9900485,0.0004504548,0.0001411492,0.000710768],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9957117,0.002336658,0.0001962988,0.0002594964,0.0001325746,0.0003861802,0.0008596199,0.00005318088,0.00006429814],"genre_scores_gemma":[0.994683,0.004368933,0.00008689081,0.0001971939,0.0003613318,0.000008245145,0.0002150208,0.0000700396,0.000009376384],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002436004,"threshold_uncertainty_score":0.999581,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005920007421283771,"score_gpt":0.2195037815614967,"score_spread":0.2135837741402129,"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."}}