{"id":"W2076920514","doi":"10.1063/1.4793604","title":"Magnetic state and exchange interaction in GdScGe: <i>Ab initio</i> study","year":2013,"lang":"en","type":"article","venue":"Journal of Applied Physics","topic":"Magnetic and transport properties of perovskites and related materials","field":"Materials Science","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Army Research Office; Defense Advanced Research Projects Agency; University of Texas at Arlington; McGill University","keywords":"Condensed matter physics; Magnetic moment; Lattice constant; Curie temperature; Ab initio quantum chemistry methods; Formula unit; Ab initio; Electronic band structure; Chemistry; Exchange interaction; Fermi level; Density functional theory; Ground state; Band gap; Atomic physics; Physics; Crystal structure; Ferromagnetism; Computational chemistry; Crystallography; Quantum mechanics; Electron; Molecule","routes":{"ca_aff":true,"ca_fund":true,"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":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0002428718,0.0001309211,0.0002812824,0.00005327362,0.00004576304,0.0001170976,0.0001165611,0.00003987552,0.001389013],"category_scores_gemma":[0.000002621582,0.00009334084,0.00003098378,0.00007857917,0.00005601823,0.000278864,0.00003496211,0.0001637064,0.0000979862],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001530094,"about_ca_system_score_gemma":0.00002144101,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001004889,"about_ca_topic_score_gemma":0.00000793712,"domain_scores_codex":[0.9989849,0.00002802078,0.0004811973,0.0001321278,0.0001948858,0.0001788941],"domain_scores_gemma":[0.9994733,0.00002694695,0.0002425323,0.0001004103,0.00008134884,0.000075458],"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":[0.0004789726,0.001102348,0.0008535625,0.0001954957,0.00003056709,0.00004661741,0.006400737,0.00192513,0.9572229,0.0001390693,0.0009194225,0.0306852],"study_design_scores_gemma":[0.03630801,0.017346,0.139684,0.001295412,0.001027769,0.0003391375,0.02529673,0.003567187,0.6730419,0.07867874,0.0196048,0.003810382],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9967299,0.0002413661,0.00003895628,0.00003461524,0.0003159443,0.0003193216,0.000003696104,0.000007117233,0.002309132],"genre_scores_gemma":[0.998935,0.000332268,0.0003225445,0.0001067327,0.0001480492,0.00001787054,0.000001043923,0.00001338127,0.0001231115],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.284181,"threshold_uncertainty_score":0.9995239,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01218457687060794,"score_gpt":0.2183466883607566,"score_spread":0.2061621114901487,"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."}}