{"id":"W2041853596","doi":"10.1063/1.3139060","title":"Structural transformations in carbon under extreme pressure: Beyond diamond","year":2009,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"High-pressure geophysics and materials","field":"Earth and Planetary Sciences","cited_by":68,"is_retracted":false,"has_abstract":true,"ca_institutions":"Steacie Institute for Molecular Sciences","funders":"","keywords":"Diamond; Metastability; Carbon fibers; Ab initio quantum chemistry methods; Allotropy; Ab initio; Metadynamics; Materials science; Crystal structure; Phase (matter); Crystallography; Chemistry; Computational chemistry; Molecular dynamics; Phase diagram; Composite number; Organic chemistry; Molecule; Composite material","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":[0.00005319593,0.0001162573,0.000141505,0.0001932943,0.0004381151,0.000320381,0.0003185044,0.0003686013,0.001301682],"category_scores_gemma":[0.0002440468,0.000118024,0.0001074096,0.000219326,0.0006470208,0.0005432332,0.0003461516,0.0004955532,0.0001137729],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003065589,"about_ca_system_score_gemma":0.0001682082,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008250406,"about_ca_topic_score_gemma":0.0007406997,"domain_scores_codex":[0.999897,0.000008553545,0.000002261019,0.00001457015,0.00005351613,0.00002412368],"domain_scores_gemma":[0.9999489,0.0000190602,0.000008032924,0.000007240461,0.000009847984,0.000006978992],"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":[0.0003482654,0.00008576112,0.006461531,0.0004710744,0.00004168048,0.001276303,0.0006462964,0.02472892,0.8925345,0.04966698,0.001079056,0.02265955],"study_design_scores_gemma":[0.0001707619,0.0009047493,0.03901311,0.00005912926,0.0000300409,0.002752543,0.001103911,0.159714,0.6998336,0.07948725,0.0168064,0.0001245137],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9938914,0.0006346781,0.001526051,0.0001799934,0.00001110577,0.000005381206,0.00006707141,0.00003793707,0.003646394],"genre_scores_gemma":[0.9990792,0.0001970368,0.0004762813,0.00001321478,0.000004027544,0.000003048168,0.0000389646,0.000005088667,0.0001830926],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001301682,"threshold_uncertainty_score":0.004354537,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01513543298818088,"score_gpt":0.209224121132504,"score_spread":0.1940886881443232,"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."}}