{"id":"W1989423582","doi":"10.1016/j.ssc.2011.10.003","title":"Prediction of a bcc–hcp phase transition for Sn: A first-principles study","year":2011,"lang":"en","type":"article","venue":"Solid State Communications","topic":"High-pressure geophysics and materials","field":"Earth and Planetary Sciences","cited_by":11,"is_retracted":false,"has_abstract":false,"ca_institutions":"Steacie Institute for Molecular Sciences","funders":"","keywords":"Superconductivity; Metadynamics; Density functional theory; Condensed matter physics; Ab initio; Ab initio quantum chemistry methods; Phase transition; Phase (matter); Materials science; Superconducting transition temperature; Phonon; Coupling (piping); Chemistry; Crystallography; Thermodynamics; Computational chemistry; Molecular dynamics; Physics; Metallurgy; Molecule","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":[0.0002990323,0.00008495424,0.000162801,0.00005307407,0.0002779265,0.00002014758,0.0004074462,0.00002588956,0.0002574986],"category_scores_gemma":[0.00001911295,0.00007748715,0.00005121611,0.0001052572,0.0000829087,0.0001630197,0.00002407893,0.00004965988,0.00001975516],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000002121026,"about_ca_system_score_gemma":0.00003105251,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001828254,"about_ca_topic_score_gemma":0.004378648,"domain_scores_codex":[0.9992278,0.0001016768,0.0003100501,0.0001249685,0.00009485167,0.0001406421],"domain_scores_gemma":[0.998904,0.0001081462,0.0001219744,0.000708097,0.0001050511,0.00005265342],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"qualitative","study_design_gemma":"observational","study_design_scores_codex":[0.005296926,0.02810566,0.118805,0.001437885,0.003087503,0.00001696279,0.6877117,0.0542894,0.01383979,0.01679327,0.005342805,0.06527312],"study_design_scores_gemma":[0.0122675,0.009104365,0.5586407,0.0002227777,0.0009487454,0.000009580976,0.01196453,0.2960384,0.008061057,0.03571327,0.06591162,0.001117445],"study_design_candidate":"qualitative","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9869102,0.0001619215,0.003374619,0.0001728469,0.0001969278,0.001154295,0.004607724,0.00006419793,0.003357217],"genre_scores_gemma":[0.9967118,0.000180584,0.002379803,0.00001534697,0.00002174943,0.00004151206,0.000594184,0.000004237463,0.00005076572],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.6757472,"threshold_uncertainty_score":0.3159834,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1553363471484894,"score_gpt":0.3012011922485877,"score_spread":0.1458648451000983,"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."}}