{"id":"W2460103580","doi":"10.1021/acs.inorgchem.6b00881","title":"Prediction of Host–Guest Na–Fe Intermetallics at High Pressures","year":2016,"lang":"en","type":"article","venue":"Inorganic Chemistry","topic":"Intermetallics and Advanced Alloy Properties","field":"Engineering","cited_by":13,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"Ministry of Science and Technology of the People's Republic of China; National Natural Science Foundation of China","keywords":"Intermetallic; Chemistry; Stoichiometry; Phase (matter); Crystallography; Density functional theory; High pressure; Group (periodic table); Chemical physics; Computational chemistry; Thermodynamics; Physical chemistry; 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":[],"consensus_categories":[],"category_scores_codex":[0.00004010303,0.0001592237,0.0001775517,0.00001649362,0.00002761902,0.00001058959,0.0002048783,0.0001038462,0.0006998881],"category_scores_gemma":[0.00004001237,0.000116663,0.00006284378,0.00005392908,0.00008175067,0.0001080878,0.0001027781,0.00008974168,0.00004561647],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009600775,"about_ca_system_score_gemma":0.00001083303,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000003654502,"about_ca_topic_score_gemma":0.000001939969,"domain_scores_codex":[0.9992456,0.000004575375,0.0002578745,0.0001657371,0.0001374694,0.0001887308],"domain_scores_gemma":[0.9995237,0.00002638231,0.00005111416,0.0002870269,0.00005740821,0.00005439232],"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":[0.000009341386,0.00001590943,0.0001821741,0.0001659624,0.00007176679,0.000002177085,0.00003480043,0.00001671209,0.9983521,0.00002267609,0.0007164255,0.0004099687],"study_design_scores_gemma":[0.0002757345,0.00001663795,0.0004585899,0.0001258488,0.0000200929,0.00001407778,0.0000116827,0.0001056381,0.9845595,0.00004915147,0.0142313,0.0001317022],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9956503,0.0003022157,0.0001925587,0.00002957978,0.0005682466,0.00005561415,0.0001078576,0.000205977,0.002887687],"genre_scores_gemma":[0.9930401,0.0002169691,0.00006763038,0.000009224459,0.0002196156,0.000009299951,0.00001183713,0.00004122344,0.006384133],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01379254,"threshold_uncertainty_score":0.7663284,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008450254884770698,"score_gpt":0.1738199145566875,"score_spread":0.1653696596719168,"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."}}