{"id":"W1998106126","doi":"10.1039/c3dt32918f","title":"Structural and relative stabilities, electronic properties and possible reactive routing of osmium and ruthenium borides from first-principles calculations","year":2013,"lang":"en","type":"article","venue":"Dalton Transactions","topic":"Boron and Carbon Nanomaterials Research","field":"Materials Science","cited_by":41,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"","keywords":"Orthorhombic crystal system; Materials science; Ruthenium; Osmium; Boron; Electronic structure; Monoclinic crystal system; Enthalpy; Phase (matter); Crystal structure; Crystallography; Computational chemistry; Thermodynamics; Chemistry; Catalysis; Organic chemistry; Physics","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":[0.0001636398,0.0001374599,0.0002180909,0.00006313209,0.0003401615,0.0001432836,0.00006717868,0.00007625439,0.0004416132],"category_scores_gemma":[0.00003836513,0.0001100752,0.0000246496,0.00008305748,0.0003807836,0.0006427092,0.00002204222,0.0001284084,0.000003136358],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005687185,"about_ca_system_score_gemma":0.00009175111,"about_ca_topic_candidate":true,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01133593,"about_ca_topic_score_gemma":0.001336522,"domain_scores_codex":[0.9988902,0.0001066728,0.0002667816,0.0002908418,0.0001614072,0.0002841404],"domain_scores_gemma":[0.9993995,0.0001681368,0.0000793177,0.0001529532,0.0001055805,0.00009449802],"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":[0.00007932427,0.00002471087,0.002409422,0.00007486635,0.0000387651,3.247844e-7,0.007529045,0.00009541264,0.9873286,0.001990862,0.000002335456,0.0004262538],"study_design_scores_gemma":[0.0008837538,0.0002462753,0.1201962,0.0001037979,0.00008791989,0.00001572258,0.006507148,0.01246765,0.8549957,0.003971073,0.0001693509,0.0003553768],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9976372,0.000664606,0.0005793598,0.0003172298,0.0000734616,0.0003730348,0.0001757592,0.00004089228,0.0001384424],"genre_scores_gemma":[0.9992102,0.0001483047,0.0003453527,0.000007512088,0.00002140442,0.00006252005,0.000009048919,0.000013316,0.000182331],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.132333,"threshold_uncertainty_score":0.9952477,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02841618540793766,"score_gpt":0.2362446357101708,"score_spread":0.2078284503022332,"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."}}