{"id":"W2469868893","doi":"10.1139/cjp-2016-0299","title":"Electronic structure, optical and thermodynamic properties of ternary hydrides <i>M</i>BeH<sub>3</sub> (<i>M</i> = Li, Na, and K)","year":2016,"lang":"en","type":"article","venue":"Canadian Journal of Physics","topic":"Hydrogen Storage and Materials","field":"Materials Science","cited_by":24,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"University of Lethbridge","keywords":"Bulk modulus; Debye model; Physics; Ternary operation; Thermodynamics; Density functional theory; Local-density approximation; Ionic bonding; Band gap; Thermal expansion; Condensed matter physics; Dielectric; Electronic structure; Ion; Quantum mechanics","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002094843,0.0001462875,0.0003070139,0.00006232275,0.00007743387,0.00006048139,0.0001750571,0.00006256843,0.0000239596],"category_scores_gemma":[0.00003867077,0.00009270498,0.00004462524,0.00005067835,0.0003238037,0.000328276,0.00002668776,0.0000854925,0.000003688908],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007257105,"about_ca_system_score_gemma":0.0005780121,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000335021,"about_ca_topic_score_gemma":0.001217496,"domain_scores_codex":[0.998992,0.00005805004,0.0003083725,0.0001437082,0.0001459566,0.0003518688],"domain_scores_gemma":[0.9991966,0.00002812547,0.0002100832,0.0001362723,0.0001061774,0.0003227769],"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":[0.0000243585,0.000006221308,0.0002396859,0.00003403065,0.00002033183,0.00003135409,0.0002373511,0.000004720094,0.9916106,0.0008658665,0.00003770188,0.006887819],"study_design_scores_gemma":[0.0003103153,0.0001643635,0.0003668686,0.0001572794,0.00003922946,0.0002224988,0.00002329601,0.00001727815,0.9933775,0.005062467,0.0001264824,0.0001324407],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9980367,0.001228689,0.0002538978,0.0001228513,0.0002008329,0.00007745914,0.00005458584,0.000004789264,0.00002015907],"genre_scores_gemma":[0.9994742,0.0001191829,0.00006708238,0.00009905335,0.0002090707,0.000001141978,4.290868e-7,0.00002059303,0.000009279782],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006755379,"threshold_uncertainty_score":0.37804,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006920700948721501,"score_gpt":0.1772962322665676,"score_spread":0.1703755313178461,"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."}}