{"id":"W2063862435","doi":"10.2138/am.2010.3503","title":"Kaolin polytypes revisited ab initio at 10 GPa","year":2010,"lang":"en","type":"article","venue":"American Mineralogist","topic":"Clay minerals and soil interactions","field":"Materials Science","cited_by":11,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa; National Research Council Canada","funders":"","keywords":"Kaolinite; Ab initio; Enthalpy; Crystal structure; Crystallography; Density functional theory; Silicon; Atom (system on chip); Ab initio quantum chemistry methods; Phase (matter); Crystal (programming language); Crystal structure prediction; Chemistry; Materials science; Thermodynamics; Computational chemistry; Mineralogy; Molecule; Physics; Metallurgy; Organic chemistry","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":["insufficient_payload"],"consensus_categories":["insufficient_payload"],"category_scores_codex":[0.000154226,0.0002158029,0.0003266171,0.0000967633,0.0002333547,0.0001190702,0.0003143745,0.00005904317,0.0112459],"category_scores_gemma":[0.0003104583,0.0001834221,0.0001157874,0.000302522,0.0007687737,0.0001626352,0.0001247111,0.0002398354,0.002736622],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004926684,"about_ca_system_score_gemma":0.00003745231,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004768145,"about_ca_topic_score_gemma":0.00335015,"domain_scores_codex":[0.998554,0.00006566825,0.0003484422,0.0004216872,0.0002061841,0.0004040172],"domain_scores_gemma":[0.9987572,0.00017014,0.0002188801,0.0005491912,0.0001296627,0.0001748977],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00004123812,0.0000653219,0.001447792,0.000004590738,0.000007093417,0.00002544553,0.00007286583,0.0000084731,0.9295492,0.001186935,0.06625964,0.001331393],"study_design_scores_gemma":[0.0008259413,0.0005091361,0.03254512,0.00004207906,0.00008148978,0.000417906,0.0002600384,0.0005801207,0.1370599,0.0003610362,0.8261082,0.001209066],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9519413,0.0000326393,0.00002624612,0.001824158,0.0005902697,0.0001007264,0.0001478345,0.000156685,0.04518015],"genre_scores_gemma":[0.9757972,0.00002904899,0.001986767,0.001234961,0.0005565927,0.00003176044,0.0001077455,0.00002922724,0.02022666],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.7924893,"threshold_uncertainty_score":0.9980398,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01312764155031579,"score_gpt":0.2842500518409934,"score_spread":0.2711224102906776,"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."}}