{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaresearch","metaepi_narrow","metaepi_broad","sts","scholarly_communication","open_science","research_integrity","insufficient_payload"],"consensus_categories":["metaepi_narrow","sts","open_science","research_integrity","insufficient_payload"],"category_scores_codex":[0.01295707,0.005539032,0.002571797,0.003378838,0.008980749,0.008341715,0.01477408,0.01080431,0.7595089],"category_scores_gemma":[0.01710007,0.01090284,0.01272911,0.009574564,0.009685672,0.008647701,0.01348637,0.01051702,0.009250841],"about_ca_system_candidate":true,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001573162,"about_ca_system_score_gemma":0.009416567,"about_ca_topic_candidate":true,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.007470009,"about_ca_topic_score_gemma":0.00593843,"domain_scores_codex":[0.9477615,0.004915297,0.01133612,0.009734849,0.0135976,0.0126546],"domain_scores_gemma":[0.9531649,0.013144,0.01404128,0.01177392,0.001655006,0.006220882],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.005491931,0.002013571,0.00002572516,0.009193986,0.006368499,0.005014446,0.003886677,0.002374109,0.01457938,0.4217378,0.5214515,0.007862379],"study_design_scores_gemma":[0.007049386,0.006522612,0.0001441186,0.0117941,0.01183774,0.009345687,0.004345693,0.01943823,0.9012195,0.00301433,0.01591003,0.009378566],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"other","genre_gemma":"empirical","genre_scores_codex":[0.2900858,0.01554145,0.006527665,0.004866701,0.01485629,0.0005282487,0.004432263,0.001788943,0.6613727],"genre_scores_gemma":[0.93435,0.01527397,0.008522001,0.007333623,0.009312046,0.01131636,0.00745023,0.005484278,0.0009575109],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.8866401,"threshold_uncertainty_score":0.9991393,"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."}}