{"id":"W2013974235","doi":"10.1021/ja806737k","title":"Na<sub>6</sub>ZnSn<sub>2</sub>, Na<sub>4.24</sub>K<sub>1.76(1)</sub>ZnSn<sub>2</sub>, and Na<sub>20</sub>Zn<sub>8</sub>Sn<sub>11</sub>: Three Intermetallic Structures Containing the Linear {Sn−Zn−Sn}<sup>6−</sup> Unit","year":2009,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Inorganic Chemistry and Materials","field":"Chemistry","cited_by":30,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Ministère de l'Économie, de la Science et de l'Innovation - Québec","keywords":"Chemistry; Zintl phase; Crystallography; Intermetallic; Diamagnetism; Valence (chemistry); Alkali metal; Valence electron; Electron localization function; Natural bond orbital; Ion; Covalent bond; Metal; Crystal structure; Chemical bond; Density functional theory; Electronic structure; Computational chemistry; Electron","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","sts","scholarly_communication","open_science","research_integrity"],"consensus_categories":["metaepi_narrow","sts","research_integrity"],"category_scores_codex":[0.005030687,0.006608358,0.00819203,0.0006931035,0.003661921,0.002258132,0.00822494,0.0040802,0.000166044],"category_scores_gemma":[0.003173337,0.005677734,0.006868236,0.004275389,0.006859227,0.00240584,0.004077299,0.01148381,0.0002906336],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.003720578,"about_ca_system_score_gemma":0.002636315,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00008606226,"about_ca_topic_score_gemma":0.00009427518,"domain_scores_codex":[0.9708054,0.001631091,0.008519639,0.005430768,0.006253611,0.007359457],"domain_scores_gemma":[0.9741787,0.003255062,0.01012747,0.00591821,0.002734138,0.003786432],"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":[0.00287074,0.001463773,0.0008871052,0.001212277,0.003871292,0.0005521406,0.003156408,0.0006257534,0.9481555,0.0001404769,0.01252295,0.02454159],"study_design_scores_gemma":[0.008815142,0.001009677,0.001159936,0.002038333,0.003659041,0.004136318,0.004232863,0.001476871,0.9630408,0.003150701,0.001257186,0.006023128],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9858892,0.002685681,0.0004940529,0.003592936,0.002086518,0.002234688,0.00126241,0.001177794,0.0005767171],"genre_scores_gemma":[0.9744819,0.00812011,0.0004723343,0.006622502,0.007910788,0.0003002711,0.0006663119,0.001389912,0.0000358283],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01851847,"threshold_uncertainty_score":0.9987776,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01117669267003852,"score_gpt":0.2331210240271691,"score_spread":0.2219443313571305,"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."}}