{"id":"W2337691691","doi":"10.1021/acs.jpcc.5b12009","title":"Crystal Structure and Superconductivity of PH<sub>3</sub> at High Pressures","year":2016,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"High-pressure geophysics and materials","field":"Earth and Planetary Sciences","cited_by":99,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"Basic Energy Sciences; Western Canada Research Grid; Specialized Research Fund for the Doctoral Program of Higher Education of China; National Key Research and Development Program of China; National Nuclear Security Administration; Office of Science; National Natural Science Foundation of China; Priority Academic Program Development of Jiangsu Higher Education Institutions; Natural Science Foundation of Jiangsu Province; National Science Foundation; Compute Canada; U.S. Department of Energy","keywords":"Monoclinic crystal system; Superconductivity; Crystal structure prediction; Crystal structure; Phase (matter); High pressure; Coupling (piping); Materials science; Crystallography; Condensed matter physics; Crystal (programming language); High-temperature superconductivity; Phonon; Chemical physics; Topology (electrical circuits); Chemistry; Physics; Thermodynamics","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":[0.000128644,0.0001340313,0.0002104159,0.0001720807,0.0003257559,0.0003394071,0.0002150966,0.0002333516,0.0009674536],"category_scores_gemma":[0.0003135558,0.0001546846,0.0001311243,0.0002716095,0.0004094437,0.0001954938,0.0002126236,0.0003509789,0.0001016441],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002547233,"about_ca_system_score_gemma":0.0003410415,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002066322,"about_ca_topic_score_gemma":0.002597814,"domain_scores_codex":[0.9999323,0.000009639183,0.0000026438,0.000008024859,0.00003342298,0.00001399503],"domain_scores_gemma":[0.9999044,0.00002761839,0.00002618285,0.000007801664,0.00002511936,0.000008768083],"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":[0.0009665352,0.0001514188,0.04457941,0.000633079,0.00009264541,0.00115042,0.0005526639,0.04342082,0.8766626,0.008007186,0.002218531,0.02156469],"study_design_scores_gemma":[0.0005851579,0.001687664,0.1340143,0.00008990468,0.0001394878,0.001768589,0.0009163825,0.280531,0.563377,0.009292454,0.007532273,0.00006578916],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9985398,0.00008559602,0.0003748391,0.00004682892,0.000001857337,0.000004235805,0.00009435545,0.00001447654,0.0008379032],"genre_scores_gemma":[0.9983771,0.00006921493,0.00117655,0.00001335548,0.000002108008,0.000006091346,0.000196612,0.000008012103,0.000150861],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002066322,"threshold_uncertainty_score":0.004108548,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006051598103393529,"score_gpt":0.1867751872144707,"score_spread":0.1807235891110772,"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."}}