{"id":"W2950980503","doi":"10.1016/j.solidstatesciences.2009.07.003","title":"X-ray/neutron diffraction studies and ab initio electronic structure of CeMgNi4 and its hydride","year":2009,"lang":"en","type":"article","venue":"Solid State Sciences","topic":"Hydrogen Storage and Materials","field":"Materials Science","cited_by":40,"is_retracted":false,"has_abstract":false,"ca_institutions":"Université du Québec à Trois-Rivières","funders":"","keywords":"Hydride; Orthorhombic crystal system; Neutron diffraction; Chemistry; Crystallography; Ab initio; Rietveld refinement; Crystal structure; Ab initio quantum chemistry methods; Intermetallic; Powder diffraction; Metastability; Physical chemistry; Computational chemistry; Hydrogen; Molecule; Alloy; Organic chemistry","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":[0.0001685288,0.0001563603,0.0002005856,0.0003649865,0.0003971124,0.0002423049,0.0006257924,0.0003308336,0.001937362],"category_scores_gemma":[0.000297358,0.0001645243,0.0001120069,0.0003385854,0.0005116052,0.000226997,0.0003415776,0.0002541048,0.0001342808],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006654781,"about_ca_system_score_gemma":0.0002230809,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005750705,"about_ca_topic_score_gemma":0.002726104,"domain_scores_codex":[0.9999423,0.000009341267,0.000003543787,0.000008572552,0.00002180529,0.00001444843],"domain_scores_gemma":[0.9999558,0.00001102229,0.000009381264,0.000006407395,0.00001187827,0.000005484755],"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":[0.002697691,0.0002051691,0.01351544,0.0009428343,0.00008334703,0.0009835695,0.0006605034,0.02386259,0.918624,0.01859097,0.002364369,0.01746948],"study_design_scores_gemma":[0.0003378727,0.0008659857,0.0527281,0.00007121151,0.0001122772,0.00106712,0.00126044,0.09339281,0.8301631,0.004086747,0.01583061,0.00008362576],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9970637,0.0003697063,0.0002452585,0.00007597023,0.00000560979,0.000005194475,0.0001069931,0.00001192604,0.002115588],"genre_scores_gemma":[0.9982405,0.00013042,0.0005328674,0.00001279352,0.000002448005,0.00000501249,0.0002778541,0.000004645479,0.0007933748],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005750705,"threshold_uncertainty_score":0.0114345,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0213414736430368,"score_gpt":0.3128995753386761,"score_spread":0.2915581016956393,"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."}}