{"id":"W4253035936","doi":"10.26434/chemrxiv.6462002.v2","title":"A Priori Bond-Valence and Bond-Length Calculations in Rock-Forming Minerals","year":2018,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"X-ray Diffraction in Crystallography","field":"Materials Science","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Manitoba","funders":"","keywords":"Bond length; Bond; A priori and a posteriori; Valence bond theory; Bond order; Bond energy; Valence (chemistry); Mineralogy; Chemistry; Crystallography; Molecule; Crystal structure; Economics","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0007315346,0.0004164137,0.0005205731,0.0003887542,0.0001748105,0.000261936,0.00053672,0.0004554084,0.0002918695],"category_scores_gemma":[0.0002858546,0.0004238339,0.0001413873,0.0003321245,0.0002254837,0.0003337357,0.0008119985,0.00053022,0.00008890866],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001331191,"about_ca_system_score_gemma":0.0001626153,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002864281,"about_ca_topic_score_gemma":0.0001039353,"domain_scores_codex":[0.9972946,0.00005620929,0.0006798927,0.001008226,0.0004335022,0.0005275637],"domain_scores_gemma":[0.9982273,0.0001664257,0.0004171354,0.0008440624,0.0001655511,0.0001795446],"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":[0.00004497228,0.0002017308,0.02588417,0.0007670605,0.00003626289,0.00003103336,0.001737348,0.0004321913,0.9607136,0.0004952311,0.009454021,0.0002023821],"study_design_scores_gemma":[0.004517922,0.0003243085,0.2511979,0.00516067,0.0005213474,0.000247961,0.00166437,0.009873951,0.5744086,0.03546153,0.1098263,0.006795156],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9938797,0.000519359,0.0007407504,0.0002831237,0.001118643,0.0005498339,0.0000291068,0.0001840397,0.002695424],"genre_scores_gemma":[0.9894297,0.0001660415,0.009028831,0.0001347723,0.0003963476,0.0001888058,0.00003847775,0.00004947917,0.0005675374],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.386305,"threshold_uncertainty_score":0.9998214,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02662453413696464,"score_gpt":0.287943184165696,"score_spread":0.2613186500287314,"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."}}