{"id":"W4292380568","doi":"10.1039/d2dt01049f","title":"Understanding the role of flux, pressure and temperature on polymorphism in ThB<sub>2</sub>O<sub>5</sub>","year":2022,"lang":"en","type":"article","venue":"Dalton Transactions","topic":"Radioactive element chemistry and processing","field":"Chemistry","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal; University of Victoria","funders":"Hefei University; Natural Science Foundation of Anhui Province; Deutsche Forschungsgemeinschaft","keywords":"Powder diffraction; Crystallography; Rietveld refinement; Polymorphism (computer science); Ab initio; Diffraction; Crystal structure; Phase (matter); Chemistry; Atmospheric temperature range; Materials science; Single crystal; Borax; Analytical Chemistry (journal); Thermodynamics; Organic chemistry","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":[0.0001283247,0.0001432081,0.0001602849,0.0001064663,0.0001712754,0.0003719481,0.0002045681,0.0002799634,0.0006677525],"category_scores_gemma":[0.0003199888,0.0002067745,0.00007820442,0.0001153594,0.0004099239,0.0007204185,0.0001491406,0.000365813,0.000093984],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001398569,"about_ca_system_score_gemma":0.0001947934,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006069469,"about_ca_topic_score_gemma":0.001250061,"domain_scores_codex":[0.9999506,0.000007484167,0.000002624725,0.00001510736,0.00001583285,0.000008340214],"domain_scores_gemma":[0.9998655,0.00006074839,0.00004537621,0.000007673543,0.00001209255,0.000008539746],"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":[0.0002132164,0.00002425759,0.005277997,0.0001054615,0.000005835612,0.0001152128,0.0001457136,0.0007852498,0.9872808,0.0009766881,0.00004919899,0.005020272],"study_design_scores_gemma":[0.00005147148,0.0004294576,0.07521135,0.00003481426,0.0000487828,0.0007401118,0.0008475499,0.01785366,0.8986629,0.003003522,0.003089881,0.00002658404],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9968936,0.0003814658,0.0016175,0.0001129043,0.00000341514,0.000006591775,0.00004732428,0.00001512491,0.000921988],"genre_scores_gemma":[0.9975667,0.0004024595,0.001515866,0.00003152915,0.000003790438,0.000009917038,0.00006304992,0.00001303896,0.0003937921],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0006677525,"threshold_uncertainty_score":0.002233863,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01635171489607262,"score_gpt":0.2175539759856905,"score_spread":0.2012022610896179,"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."}}