{"id":"W4308616680","doi":"10.1002/anie.202215393","title":"Structural Influence of Lone Pairs in GeP<sub>2</sub>N<sub>4</sub>, a Germanium(II) Nitridophosphate","year":2022,"lang":"en","type":"article","venue":"Angewandte Chemie International Edition","topic":"Inorganic Chemistry and Materials","field":"Chemistry","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Excellence Research Chairs, Government of Canada; Deutsche Forschungsgemeinschaft; Compute Canada","keywords":"Germanium; Stoichiometry; Lone pair; Crystallography; Density functional theory; Materials science; Spectroscopy; Crystal structure; Germanium compounds; Diffraction; Chemistry; Molecule; Physical chemistry; Computational chemistry; Silicon; 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":[0.00005639044,0.0001574342,0.0001238684,0.0001068187,0.0002206326,0.0002171449,0.0001874273,0.000208244,0.001051196],"category_scores_gemma":[0.0001288305,0.0001179444,0.00005376637,0.00007288276,0.0002357213,0.0001533656,0.0002799797,0.0001428034,0.0001314292],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001822046,"about_ca_system_score_gemma":0.0002058073,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008014712,"about_ca_topic_score_gemma":0.001328757,"domain_scores_codex":[0.9999638,0.000008732585,0.000001885666,0.000008665389,0.00001082584,0.000006064973],"domain_scores_gemma":[0.9999794,0.000007760676,0.000004626066,0.000001761072,0.000003106979,0.000003393164],"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":[0.0002575245,0.00002048602,0.001633,0.0001441846,0.0000187339,0.0004119383,0.00009907737,0.001682894,0.9863297,0.002507828,0.0002361032,0.006658579],"study_design_scores_gemma":[0.0000478444,0.0003910501,0.006747902,0.00002070016,0.00003854994,0.0006115919,0.0002758049,0.009684404,0.9742386,0.001381726,0.006535116,0.00002678897],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9970753,0.0002883276,0.0005019938,0.00003723602,0.00001040924,0.000003649463,0.00004627473,0.00001238831,0.002024312],"genre_scores_gemma":[0.9986879,0.0001545885,0.000524093,0.00001249911,0.000001646,0.000004680806,0.00005790571,0.000006710076,0.0005499555],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001051196,"threshold_uncertainty_score":0.003516555,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007674314361381699,"score_gpt":0.2168074968352696,"score_spread":0.2091331824738879,"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."}}