{"id":"W2531147226","doi":"10.5539/ijc.v8n4p111","title":"Density-Functional Study of Structural and Electronic Properties of the ZrnAl±m Clusters","year":2016,"lang":"en","type":"article","venue":"International Journal of Chemistry","topic":"Inorganic Chemistry and Materials","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Chemistry; Crystallography","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006425725,0.0005281307,0.0009687459,0.0007230882,0.001217398,0.0006948811,0.001863017,0.0007724929,0.004213579],"category_scores_gemma":[0.0006903246,0.0002469038,0.0005153958,0.001021074,0.0005612613,0.0003751808,0.0007046622,0.0007184384,0.0003775494],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001395842,"about_ca_system_score_gemma":0.001211148,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01622061,"about_ca_topic_score_gemma":0.01498304,"domain_scores_codex":[0.999683,0.00007167306,0.000009920002,0.00003427108,0.000102259,0.00009891496],"domain_scores_gemma":[0.9997439,0.00006639556,0.00002394945,0.00004176065,0.00009019356,0.0000338373],"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":[0.001904728,0.000342653,0.01145237,0.002165599,0.0003675783,0.001630323,0.001005205,0.7424511,0.06433047,0.1171773,0.02442867,0.03274397],"study_design_scores_gemma":[0.0001340172,0.0003583644,0.008125154,0.00006872504,0.0000662582,0.00009185496,0.0004066323,0.9720481,0.009658212,0.005213771,0.003738316,0.00009055671],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9826007,0.001125213,0.003832476,0.0005015092,0.00005881297,0.00003255636,0.0006864323,0.0001846513,0.0109776],"genre_scores_gemma":[0.9938965,0.0003745128,0.002700043,0.00008989653,0.00002082279,0.0000879122,0.00117262,0.00004977215,0.001607814],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01622061,"threshold_uncertainty_score":0.03225243,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007893054867780287,"score_gpt":0.2073056435300208,"score_spread":0.1994125886622406,"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."}}