{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2006:3DLW5RSHVIRNEJ2JV56WNFC5ZB","short_pith_number":"pith:3DLW5RSH","schema_version":"1.0","canonical_sha256":"d8d76ec647aa22d22749af7d66945dc879ae29e2777cea68c81840ea4fa62023","source":{"kind":"arxiv","id":"cond-mat/0612287","version":1},"attestation_state":"computed","paper":{"title":"Ab initio Molecular Dynamical Investigation of the Finite Temperature Behavior of the Tetrahedral Au$_{19}$ and Au$_{20}$ Clusters","license":"","headline":"","cross_cats":["cond-mat.mtrl-sci"],"primary_cat":"cond-mat.stat-mech","authors_text":"B. Soul\\'e de Bas, D. G. Kanhere, Ghazal Shafai, M. J. Ford, Sailaja Krishnamurty","submitted_at":"2006-12-12T11:52:02Z","abstract_excerpt":"Density functional molecular dynamics simulations have been carried out to understand the finite temperature behavior of Au$_{19}$ and Au$_{20}$ clusters. Au$_{20}$ has been reported to be a unique molecule having tetrahedral geometry, a large HOMO-LUMO energy gap and an atomic packing similar to that of the bulk gold (J. Li et al., Science, {\\bf 299} 864, 2003). Our results show that the geometry of Au$_{19}$ is exactly identical to that of Au$_{20}$ with one missing corner atom (called as vacancy). Surprisingly, our calculated heat capacities for this nearly identical pair of gold cluster ex"},"verification_status":{"content_addressed":true,"pith_receipt":true,"author_attested":false,"weak_author_claims":0,"strong_author_claims":0,"externally_anchored":false,"storage_verified":false,"citation_signatures":0,"replication_records":0,"graph_snapshot":true,"references_resolved":false,"formal_links_present":false},"canonical_record":{"source":{"id":"cond-mat/0612287","kind":"arxiv","version":1},"metadata":{"license":"","primary_cat":"cond-mat.stat-mech","submitted_at":"2006-12-12T11:52:02Z","cross_cats_sorted":["cond-mat.mtrl-sci"],"title_canon_sha256":"6a51c293e80e4596c3fde2fb731dcc35099f42bbe35c8e26f0c8d764db12db40","abstract_canon_sha256":"972eaa7ac4101ab1394ea7c5ea69a7d24149f8db1447d0e980b907e27ede7f98"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T01:03:45.488381Z","signature_b64":"/zHKK4YWxksPKXxTlqrgaZRWpuQ5apYbbq+ZHHVvUFEW5qLxRZTmYYDDo6RqjQWxyXs3kX4ETlda0JbEtQKYCw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"d8d76ec647aa22d22749af7d66945dc879ae29e2777cea68c81840ea4fa62023","last_reissued_at":"2026-05-18T01:03:45.487946Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T01:03:45.487946Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Ab initio Molecular Dynamical Investigation of the Finite Temperature Behavior of the Tetrahedral Au$_{19}$ and Au$_{20}$ Clusters","license":"","headline":"","cross_cats":["cond-mat.mtrl-sci"],"primary_cat":"cond-mat.stat-mech","authors_text":"B. Soul\\'e de Bas, D. G. Kanhere, Ghazal Shafai, M. J. Ford, Sailaja Krishnamurty","submitted_at":"2006-12-12T11:52:02Z","abstract_excerpt":"Density functional molecular dynamics simulations have been carried out to understand the finite temperature behavior of Au$_{19}$ and Au$_{20}$ clusters. Au$_{20}$ has been reported to be a unique molecule having tetrahedral geometry, a large HOMO-LUMO energy gap and an atomic packing similar to that of the bulk gold (J. Li et al., Science, {\\bf 299} 864, 2003). Our results show that the geometry of Au$_{19}$ is exactly identical to that of Au$_{20}$ with one missing corner atom (called as vacancy). Surprisingly, our calculated heat capacities for this nearly identical pair of gold cluster ex"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"cond-mat/0612287","kind":"arxiv","version":1},"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"},"aliases":[{"alias_kind":"arxiv","alias_value":"cond-mat/0612287","created_at":"2026-05-18T01:03:45.488013+00:00"},{"alias_kind":"arxiv_version","alias_value":"cond-mat/0612287v1","created_at":"2026-05-18T01:03:45.488013+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.cond-mat/0612287","created_at":"2026-05-18T01:03:45.488013+00:00"},{"alias_kind":"pith_short_12","alias_value":"3DLW5RSHVIRN","created_at":"2026-05-18T12:25:53.939244+00:00"},{"alias_kind":"pith_short_16","alias_value":"3DLW5RSHVIRNEJ2J","created_at":"2026-05-18T12:25:53.939244+00:00"},{"alias_kind":"pith_short_8","alias_value":"3DLW5RSH","created_at":"2026-05-18T12:25:53.939244+00:00"}],"events":[],"event_summary":{},"paper_claims":[],"inbound_citations":{"count":0,"internal_anchor_count":0,"sample":[]},"formal_canon":{"evidence_count":0,"sample":[],"anchors":[]},"links":{"html":"https://pith.science/pith/3DLW5RSHVIRNEJ2JV56WNFC5ZB","json":"https://pith.science/pith/3DLW5RSHVIRNEJ2JV56WNFC5ZB.json","graph_json":"https://pith.science/api/pith-number/3DLW5RSHVIRNEJ2JV56WNFC5ZB/graph.json","events_json":"https://pith.science/api/pith-number/3DLW5RSHVIRNEJ2JV56WNFC5ZB/events.json","paper":"https://pith.science/paper/3DLW5RSH"},"agent_actions":{"view_html":"https://pith.science/pith/3DLW5RSHVIRNEJ2JV56WNFC5ZB","download_json":"https://pith.science/pith/3DLW5RSHVIRNEJ2JV56WNFC5ZB.json","view_paper":"https://pith.science/paper/3DLW5RSH","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=cond-mat/0612287&json=true","fetch_graph":"https://pith.science/api/pith-number/3DLW5RSHVIRNEJ2JV56WNFC5ZB/graph.json","fetch_events":"https://pith.science/api/pith-number/3DLW5RSHVIRNEJ2JV56WNFC5ZB/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/3DLW5RSHVIRNEJ2JV56WNFC5ZB/action/timestamp_anchor","attest_storage":"https://pith.science/pith/3DLW5RSHVIRNEJ2JV56WNFC5ZB/action/storage_attestation","attest_author":"https://pith.science/pith/3DLW5RSHVIRNEJ2JV56WNFC5ZB/action/author_attestation","sign_citation":"https://pith.science/pith/3DLW5RSHVIRNEJ2JV56WNFC5ZB/action/citation_signature","submit_replication":"https://pith.science/pith/3DLW5RSHVIRNEJ2JV56WNFC5ZB/action/replication_record"}},"created_at":"2026-05-18T01:03:45.488013+00:00","updated_at":"2026-05-18T01:03:45.488013+00:00"}