{"id":"W2900498917","doi":"10.1002/anie.201704364","title":"Modulated Structure Calculated for Superconducting Hydrogen Sulfide","year":2017,"lang":"en","type":"article","venue":"Angewandte Chemie International Edition","topic":"High-pressure geophysics and materials","field":"Earth and Planetary Sciences","cited_by":24,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Superconductivity; Tetragonal crystal system; Metadynamics; Electron diffraction; Chemistry; Hydrogen; Anisotropy; Crystallography; Chemical physics; Electron; Condensed matter physics; Materials science; Crystal structure; Molecular dynamics; Diffraction; Computational chemistry; Physics","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00009768103,0.000318237,0.0003430036,0.0005465983,0.0004832471,0.0005764167,0.0006720719,0.0007619446,0.005816672],"category_scores_gemma":[0.0004230733,0.0002186934,0.0001844663,0.0003817407,0.0004390598,0.0003679139,0.0002782707,0.0004431597,0.0002806982],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009306539,"about_ca_system_score_gemma":0.0006089854,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00359598,"about_ca_topic_score_gemma":0.002913584,"domain_scores_codex":[0.9999244,0.000009015415,0.000002249385,0.000007129346,0.00003740672,0.00001973041],"domain_scores_gemma":[0.9999138,0.00001633728,0.0000110946,0.00001139928,0.00003468466,0.00001267084],"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":[0.0007906475,0.0002829986,0.006377328,0.0009063471,0.00013382,0.002297577,0.0006555555,0.4541271,0.2014687,0.2937723,0.008395417,0.03079219],"study_design_scores_gemma":[0.000130764,0.0001034115,0.002896914,0.00002204347,0.00001281637,0.00008467875,0.00007458036,0.9779873,0.006520912,0.01058356,0.001561089,0.0000218958],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9732792,0.0002911333,0.007138507,0.0002842967,0.00008983282,0.00005156771,0.0003382588,0.0002269096,0.01830019],"genre_scores_gemma":[0.9964799,0.00008704988,0.002090951,0.00004386136,0.00001147172,0.00005031713,0.0003793172,0.00002964419,0.0008274413],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005816672,"threshold_uncertainty_score":0.01945871,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02156155735169382,"score_gpt":0.2569411466775366,"score_spread":0.2353795893258428,"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."}}