{"id":"W3166730921","doi":"10.1063/5.0048141","title":"57Fe Mössbauer isomer shift of pure iron and iron oxides at high pressure—An experimental and theoretical study","year":2021,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"High-pressure geophysics and materials","field":"Earth and Planetary Sciences","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"","keywords":"Mössbauer spectroscopy; Density functional theory; Iron oxide; Chemistry; Synchrotron; Wüstite; Oxide; Oxygen; Materials science; Analytical Chemistry (journal); Crystallography; Computational chemistry; Metallurgy; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002011038,0.0003093728,0.0002149822,0.0004125027,0.0003050236,0.0001997583,0.0005119933,0.0003036886,0.0009302133],"category_scores_gemma":[0.0003287011,0.0002669152,0.0001349738,0.000336788,0.0005626217,0.0003886929,0.0002474515,0.0003087858,0.0001502966],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003190779,"about_ca_system_score_gemma":0.00009720843,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009421603,"about_ca_topic_score_gemma":0.0007098574,"domain_scores_codex":[0.9998924,0.000008204265,0.000002581434,0.00002644775,0.00005730032,0.00001306625],"domain_scores_gemma":[0.9999009,0.00003963895,0.00001324723,0.00001222363,0.00002778656,0.000006231311],"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":[0.0002235638,0.00004448855,0.003253493,0.0003653254,0.00002671066,0.0005659449,0.0002106801,0.005248576,0.9769406,0.004312472,0.0002454827,0.008562665],"study_design_scores_gemma":[0.00003430806,0.0003282519,0.02312749,0.00002062314,0.00002666363,0.0006878221,0.0002722197,0.03979506,0.9311591,0.001881064,0.002638986,0.0000284744],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9936214,0.0005531276,0.002943967,0.0000549941,0.000005603051,0.000005723351,0.0001125412,0.0000482535,0.002654495],"genre_scores_gemma":[0.9984668,0.0002289479,0.0008869006,0.000005338989,0.000005497508,0.000004753221,0.00009086652,0.000005957328,0.0003049058],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009421603,"threshold_uncertainty_score":0.003111899,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007597752319516053,"score_gpt":0.2212309090652065,"score_spread":0.2136331567456904,"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."}}