{"id":"W4402580163","doi":"10.1073/pnas.2403662121","title":"Generating interstitial water within the persisting tetrahedral H-bond network explains density increase upon compressing liquid water","year":2024,"lang":"en","type":"article","venue":"Proceedings of the National Academy of Sciences","topic":"Material Dynamics and Properties","field":"Materials Science","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"Deutsches Elektronen-Synchrotron; Natural Sciences and Engineering Research Council of Canada; Deutsche Forschungsgemeinschaft","keywords":"Tetrahedron; Liquid water; Bond; Crystallography; Materials science; Chemistry; Chemical physics; Physics; Thermodynamics; Business","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.003348437,0.0001319462,0.0001595527,0.00006664542,0.0008402626,0.0003901554,0.0007417225,0.00006587787,0.00007664492],"category_scores_gemma":[0.0001603399,0.00005419052,0.0000747595,0.0001672588,0.0007628857,0.0005852784,0.0004621635,0.0001775304,0.000006198387],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003770394,"about_ca_system_score_gemma":0.00002717559,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000660672,"about_ca_topic_score_gemma":0.000001205985,"domain_scores_codex":[0.9982293,0.00002779741,0.0004030603,0.0002934965,0.0007677018,0.0002786183],"domain_scores_gemma":[0.9995695,0.00008502339,0.0001373028,0.00001338392,0.0001607335,0.00003405764],"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":[0.00005074517,0.000006999254,0.00006751526,0.00009936395,0.000007586451,5.25578e-8,0.001773326,0.003265204,0.9850976,0.009477027,0.0001161263,0.00003838394],"study_design_scores_gemma":[0.00004889909,0.00004921253,0.00008378687,0.0002829383,0.00001646388,0.00002154238,0.0002886144,0.0602027,0.9338334,0.004975098,0.0000975646,0.00009980388],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9964421,0.0001052807,0.000009459508,0.001937178,0.0003094373,0.0001291374,0.00001175947,0.00003073716,0.001024851],"genre_scores_gemma":[0.9972758,0.00000304843,0.001849461,0.0002584288,0.0005126628,0.000007361642,5.517688e-7,0.000007416129,0.00008523808],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0569375,"threshold_uncertainty_score":0.6462705,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03542679343124339,"score_gpt":0.2692164106853926,"score_spread":0.2337896172541493,"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."}}