{"id":"W2510029875","doi":"10.1007/s11664-016-4859-9","title":"First-Principles Study on the Structural, Electronic, Magnetic and Thermodynamic Properties of Full Heusler Alloys Co2VZ (Z = Al, Ga)","year":2016,"lang":"en","type":"article","venue":"Journal of Electronic Materials","topic":"Heusler alloys: electronic and magnetic properties","field":"Materials Science","cited_by":44,"is_retracted":false,"has_abstract":false,"ca_institutions":"Institut National de la Recherche Scientifique","funders":"","keywords":"Debye model; Condensed matter physics; Magnetic moment; Materials science; Lattice constant; Thermodynamics; Thermal expansion; Density functional theory; Solid-state physics; Atom (system on chip); Electronic structure; Chemistry; Physics; Computational chemistry; Quantum mechanics","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":[0.0007179815,0.0004496518,0.001557459,0.0005749642,0.001277852,0.000868323,0.001924819,0.001135063,0.003998324],"category_scores_gemma":[0.0006855038,0.0004560511,0.0008693554,0.0005235216,0.001106128,0.0006970888,0.0005247016,0.001123325,0.0003381375],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008236121,"about_ca_system_score_gemma":0.0009495468,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004422876,"about_ca_topic_score_gemma":0.007732062,"domain_scores_codex":[0.999764,0.00004903417,0.000003848246,0.00001360559,0.0001049136,0.00006464971],"domain_scores_gemma":[0.9995263,0.0002202173,0.00002652358,0.00008095783,0.0001068967,0.00003909559],"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":[0.0007092888,0.0008521578,0.003338648,0.001257764,0.0002349382,0.001285208,0.0006590324,0.7465207,0.04892001,0.1672812,0.006962512,0.02197854],"study_design_scores_gemma":[0.00006893284,0.0001068022,0.001876252,0.00002276333,0.00002184336,0.00007072653,0.0001178013,0.9850445,0.003795773,0.007703355,0.001149737,0.0000216112],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9400197,0.001649895,0.02332434,0.0009112551,0.0001291259,0.0001348914,0.000348777,0.000290704,0.03319136],"genre_scores_gemma":[0.9881523,0.0004004402,0.006104049,0.0001381656,0.00002975423,0.00008112264,0.0001929887,0.00007189172,0.004829236],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004422876,"threshold_uncertainty_score":0.0133757,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01888323636556358,"score_gpt":0.2241105229139114,"score_spread":0.2052272865483478,"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."}}