{"id":"W2089525039","doi":"10.1002/pssc.200590009","title":"Approaching the structure of heavily defective ionic oxides through atomistic modeling","year":2005,"lang":"en","type":"article","venue":"Physica status solidi. C, Conferences and critical reviews/Physica status solidi. C, Current topics in solid state physics","topic":"Catalysis and Oxidation Reactions","field":"Chemical Engineering","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Guelph","funders":"","keywords":"Ionic bonding; Materials science; Chemical physics; Nanotechnology; Crystallography; Chemistry; Ion","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002284219,0.0003868695,0.0004323816,0.0003498621,0.0005677471,0.000738538,0.001645681,0.001065193,0.001686596],"category_scores_gemma":[0.0006126883,0.0003578833,0.0003865285,0.0002330289,0.0006718775,0.0006865014,0.0004376468,0.0006435862,0.0002953815],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001148729,"about_ca_system_score_gemma":0.0009112179,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.008675587,"about_ca_topic_score_gemma":0.009311077,"domain_scores_codex":[0.9999399,0.00001731742,0.00000181003,0.00000536679,0.0000233283,0.00001219009],"domain_scores_gemma":[0.9998993,0.00003648099,0.00001380617,0.00001339225,0.0000218894,0.00001510823],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00005399737,0.00003170061,0.0009715027,0.00008927113,0.00002482672,0.0001900068,0.00009594297,0.8657194,0.005273765,0.1226549,0.002048815,0.002845942],"study_design_scores_gemma":[0.00001020279,0.000009078513,0.0002212362,0.000006044376,0.000003817998,0.00002219582,0.00002194396,0.9755633,0.0002592133,0.02292567,0.0009518072,0.000005367537],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6826044,0.002481692,0.2092159,0.003574847,0.0002091853,0.0000993655,0.001454053,0.0007519973,0.0996085],"genre_scores_gemma":[0.9599968,0.0007754256,0.03423523,0.0002213367,0.00005070109,0.0001226616,0.0003917012,0.0001760857,0.004030176],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008675587,"threshold_uncertainty_score":0.01725018,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.05317153355747614,"score_gpt":0.3491554119461119,"score_spread":0.2959838783886358,"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."}}