{"id":"W4400405634","doi":"10.1016/j.jssc.2024.124892","title":"Crystal structure and crystal chemistry of the τ-Mg32(Al,Zn)49 solid solution using first-principles calculations and thermodynamic modelling","year":2024,"lang":"en","type":"article","venue":"Journal of Solid State Chemistry","topic":"Magnesium Alloys: Properties and Applications","field":"Materials Science","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"Polytechnique Montréal","funders":"Natural Sciences and Engineering Research Council of Canada; Compute Canada","keywords":"Solid solution; Chemistry; Thermodynamics; Crystal structure; Crystal chemistry; Mixing (physics); Crystal (programming language); Debye model; Phase (matter); Crystallography; Physics","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00013947,0.0002385795,0.0003516913,0.0002815811,0.0004465167,0.0004571185,0.0004528821,0.0004025865,0.001296679],"category_scores_gemma":[0.0002335978,0.0001865021,0.0002446514,0.0002807656,0.0003537106,0.0002872805,0.0001821697,0.0002505147,0.000176654],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007551552,"about_ca_system_score_gemma":0.0009000152,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00502627,"about_ca_topic_score_gemma":0.005097392,"domain_scores_codex":[0.9999324,0.00001126572,0.000002661163,0.000006969473,0.00003675782,0.00001000758],"domain_scores_gemma":[0.9999617,0.00001737603,0.000004779967,0.000003589555,0.000009344283,0.000003218929],"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":[0.0001960659,0.0001078512,0.003914497,0.0005622461,0.00004779369,0.0004848859,0.0001770862,0.7993519,0.1082028,0.0656862,0.001370672,0.01989806],"study_design_scores_gemma":[0.0000708662,0.000087988,0.001049767,0.00002334629,0.000008500842,0.00005871374,0.00007382213,0.9763984,0.01127279,0.008159514,0.002780838,0.00001536425],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9668407,0.0009491132,0.02246378,0.0001916756,0.00002487014,0.00005948431,0.000498848,0.00008489199,0.008886649],"genre_scores_gemma":[0.9768822,0.0004759778,0.02107326,0.00003418182,0.00000682827,0.00008829165,0.000375662,0.0000284084,0.001035049],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00502627,"threshold_uncertainty_score":0.00999403,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02214350275991928,"score_gpt":0.2527724814156249,"score_spread":0.2306289786557056,"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."}}