{"id":"W3119479387","doi":"10.1103/physrevb.103.024402","title":"Direct determination of the zero-field splitting for the <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:msup><mml:mrow><mml:mi>Fe</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:math> ion in a synthetic polymorph of <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:mrow><mml:mi>Na</mml:mi><mml:mi>Mg</mml:mi><mml:mi>Fe</mml:mi><mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:msub><mml:mi mathvariant=\"normal\">C</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant=\"normal\">O</mml:mi><mml:mn>4</mml:mn></mml:msub><mml:mo>)</mml:mo></mml:mrow><mml:mn>3</mml:mn></mml:msub><mml:mo>·</mml:mo><mml:mn>9</mml:mn><mml:msub><mml:mi mathvariant=\"normal\">H</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mi mathvariant=\"normal\">O</mml:mi></mml:mrow></mml:math>: A natural metal-organic framework","year":2021,"lang":"lv","type":"article","venue":"Physical review. B./Physical review. B","topic":"Magnetism in coordination complexes","field":"Materials Science","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Chemical Sciences, Geosciences, and Biosciences Division; Oak Ridge National Laboratory; Basic Energy Sciences; Office of Science; U.S. Department of Energy","keywords":"Ground state; Physics; Magnetism; Inelastic neutron scattering; Excited state; Magnetization; Energy (signal processing); Crystallography; Zero (linguistics); Anisotropy; Condensed matter physics; Magnetic field; Atomic physics; Scattering; Chemistry; Neutron scattering; 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":[0.0005152264,0.0005856962,0.0003057827,0.0005370547,0.0009919693,0.0004834986,0.001317826,0.0007993832,0.03027442],"category_scores_gemma":[0.001027925,0.0003242717,0.0001629289,0.0007192488,0.0005941936,0.001020512,0.0005172878,0.001790937,0.002189305],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007232974,"about_ca_system_score_gemma":0.0006067577,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002651966,"about_ca_topic_score_gemma":0.004870557,"domain_scores_codex":[0.9997761,0.00001958376,0.000007836437,0.00006749955,0.00008509047,0.00004390768],"domain_scores_gemma":[0.999696,0.00007559151,0.00003618539,0.00005535949,0.0001075926,0.00002920564],"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":[0.000700174,0.0002820689,0.001534667,0.001222248,0.00006348745,0.0006440012,0.001349437,0.001356947,0.8691896,0.03513386,0.03693493,0.05158864],"study_design_scores_gemma":[0.0001322313,0.0005942688,0.006376079,0.0001537779,0.00005109393,0.0004378415,0.001351371,0.007864642,0.9010977,0.007415772,0.07443769,0.00008738535],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7552199,0.001812584,0.05320076,0.002791216,0.001052186,0.0001470411,0.006550315,0.001190685,0.1780353],"genre_scores_gemma":[0.9462755,0.00180224,0.01943676,0.000679454,0.00005626764,0.0001767905,0.00382161,0.0004502811,0.02730118],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03027442,"threshold_uncertainty_score":0.101278,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01747976210762378,"score_gpt":0.2630562574060675,"score_spread":0.2455764952984437,"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."}}