{"id":"W4405229146","doi":"10.26434/chemrxiv-2024-964md","title":"Exploring Defects and Dopability Limits of Solid Electrolytes: a Computational Study","year":2024,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Advanced Battery Materials and Technologies","field":"Engineering","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"","keywords":"Fast ion conductor; Conductivity; Electrolyte; Materials science; Electrochemistry; Solid-state; Electrical resistivity and conductivity; Electronic structure; Chemical physics; Chemistry; Nanotechnology; Inorganic chemistry; Physical chemistry; Computational chemistry; Electrode; Electrical engineering; Engineering","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006340941,0.0005874696,0.001002172,0.0009909869,0.0007295267,0.001188714,0.00118495,0.001562893,0.003326294],"category_scores_gemma":[0.002325576,0.000448604,0.0009037348,0.001062749,0.0008954749,0.0008169334,0.0007194328,0.0009174153,0.0001954567],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008817342,"about_ca_system_score_gemma":0.001121543,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0132488,"about_ca_topic_score_gemma":0.0117659,"domain_scores_codex":[0.999866,0.00003366442,0.000007058102,0.00001491521,0.00004026684,0.00003810926],"domain_scores_gemma":[0.9982256,0.001392034,0.0001014154,0.00009012988,0.0001220124,0.0000689011],"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":[0.0001482167,0.0001336766,0.003536982,0.0001811486,0.00005753304,0.0002513343,0.00004691977,0.9842844,0.0008917298,0.006504009,0.0009371437,0.003026976],"study_design_scores_gemma":[0.00005301041,0.00004376816,0.0004175201,0.00001659026,0.00001424896,0.00001954035,0.00004131669,0.9971964,0.0003038991,0.001601479,0.0002866476,0.000005524523],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9775685,0.0006324607,0.005555573,0.0006077457,0.00002862336,0.00005219956,0.001045957,0.0001020547,0.01440687],"genre_scores_gemma":[0.9917236,0.0003307731,0.005596172,0.0001121474,0.00001638643,0.00009998963,0.0006990901,0.00004055959,0.00138131],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0132488,"threshold_uncertainty_score":0.02634335,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.05944178551120073,"score_gpt":0.2714785851702388,"score_spread":0.212036799659038,"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."}}