{"id":"W2018727520","doi":"10.1007/s10870-005-4551-z","title":"Crystal structure, vibrational spectra and thermal decomposition study of a new, dicationic, acidic pyrophosphate: KHMgP2O7⋅2H2O","year":2005,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Crystal Structures and Properties","field":"Materials Science","cited_by":12,"is_retracted":false,"has_abstract":false,"ca_institutions":"Université de Montréal; McGill University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Raman spectroscopy; Crystallography; Crystal structure; Hydrogen bond; Thermal decomposition; Octahedron; Infrared spectroscopy; Aqueous solution; Amorphous solid; Salt (chemistry); Pyrophosphate; Powder diffraction; X-ray crystallography; Molecule; Physical chemistry; Diffraction; Organic chemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001927607,0.0002018112,0.0003740447,0.0001579174,0.00008565302,0.0001113116,0.0002975735,0.0001016992,0.0006499253],"category_scores_gemma":[0.00002951156,0.0001492726,0.0001523928,0.0002259816,0.0002537264,0.0004545767,0.00007787444,0.0002337723,4.877139e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003350119,"about_ca_system_score_gemma":0.00008030195,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003597137,"about_ca_topic_score_gemma":0.0000140672,"domain_scores_codex":[0.9981596,0.00005950461,0.0007551169,0.0002151591,0.0005864752,0.0002241051],"domain_scores_gemma":[0.9988373,0.00005719341,0.0005656978,0.0001647553,0.0001760461,0.0001990263],"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":[0.0005268814,0.0002101646,0.001688267,0.00002106875,0.00005642732,0.000004762968,0.0009186335,0.0002360507,0.9951122,0.0001207658,0.0001921742,0.0009126145],"study_design_scores_gemma":[0.00236268,0.0009973381,0.01982883,0.00004646138,0.0001246585,0.0002368404,0.0005478066,0.00008372577,0.9712925,0.00359211,0.000604823,0.0002822494],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9975187,0.001411538,0.0003502499,0.0003226767,0.0001131485,0.0001767134,0.00002228542,0.00001605805,0.000068688],"genre_scores_gemma":[0.993704,0.0000296122,0.005749658,0.00007272649,0.000416496,0.000001621903,0.000005328682,0.00001650475,0.000004048258],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02381971,"threshold_uncertainty_score":0.7116227,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00793577401646917,"score_gpt":0.2382609003487773,"score_spread":0.2303251263323081,"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."}}