{"paper":{"title":"Predicted alternative structure for tantalum metal under high pressure and high temperature","license":"http://creativecommons.org/licenses/by/3.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Feng Xi, Ling-Cang Cai, Xiu-Lu Zhang, Zhong-Li Liu","submitted_at":"2013-06-03T01:06:06Z","abstract_excerpt":"First-principles simulations have been performed to investigate the phase stability of tantalum metal under high pressure and high temperature (HPHT). We searched its low-energy structures globally using our developed multi-algorithm collaborative (MAC) crystal structure prediction technique. The body-centred cubic (bcc) was found to be stable at pressure up to 300 GPa. The previously reported $\\omega$ and \\textit{A}15 structures were also reproduced successfully. More interestingly, we observed another phase (space group: \\textit{Pnma}, 62) that is more stable than $\\omega$ and \\textit{A}15. "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1306.0266","kind":"arxiv","version":3},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}