{"id":"W2949128056","doi":"10.1021/ic3020699","title":"New Quaternary Chalcogenides, Tl<sub>18</sub>Pb<sub>2</sub><i>M</i><sub>7</sub><i>Q</i><sub>25</sub> (<i>M</i> = Ti, Zr, and Hf; <i>Q</i> = S and Se): Crystal Structure, Electronic Structure, and Electrical Transport Properties","year":2013,"lang":"en","type":"article","venue":"Inorganic Chemistry","topic":"Crystal Structures and Properties","field":"Materials Science","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"","keywords":"Octahedron; Chemistry; Isostructural; Crystallography; Selenide; Lone pair; Band gap; Semiconductor; Ion; Crystal structure; Chalcogen; Space group; Condensed matter physics; X-ray crystallography; Molecule; Physics; Selenium; Diffraction","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":[0.00007142841,0.0001824064,0.0002226203,0.0002353065,0.0002002312,0.0005212945,0.0003036011,0.0002420689,0.001011976],"category_scores_gemma":[0.0001485898,0.0001042043,0.0001070762,0.0003276059,0.0002551419,0.0004072568,0.0001905256,0.000202435,0.000294589],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004570786,"about_ca_system_score_gemma":0.0003793703,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007264571,"about_ca_topic_score_gemma":0.002682358,"domain_scores_codex":[0.9999249,0.000005918792,0.000006645855,0.00001699699,0.00002907212,0.00001646145],"domain_scores_gemma":[0.9999328,0.000004920015,0.00001367942,0.000006449899,0.00002525746,0.00001686376],"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":[0.0002711109,0.00005138065,0.002215907,0.0003420892,0.00003444987,0.0002961779,0.0001558218,0.001187511,0.9749351,0.00429842,0.0007866291,0.01542541],"study_design_scores_gemma":[0.0001193654,0.0007930216,0.004117899,0.00001500661,0.0001344309,0.001038302,0.0001684387,0.004336175,0.9580559,0.0008195134,0.03038754,0.00001447706],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9879071,0.001920333,0.005048933,0.00007185139,0.00004008915,0.00005419962,0.0003950048,0.0001068054,0.004455893],"genre_scores_gemma":[0.9843189,0.0009185453,0.006863456,0.00007769556,0.00001386813,0.00003880703,0.0009333828,0.00003975437,0.006795518],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001011976,"threshold_uncertainty_score":0.003385365,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006992213531368512,"score_gpt":0.1831006669915958,"score_spread":0.1761084534602273,"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."}}