{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2016:PCIK2OFVNL4QBTKRQ7GWXEPJ4N","short_pith_number":"pith:PCIK2OFV","schema_version":"1.0","canonical_sha256":"7890ad38b56af900cd5187cd6b91e9e3509492439996e3f4a29645aeb1027a14","source":{"kind":"arxiv","id":"1605.08080","version":1},"attestation_state":"computed","paper":{"title":"Rapid yet accurate first principle based predictions of alkali halide crystal phases using alchemical perturbation","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Alisa Solovyeva, O. Anatole von Lilienfeld","submitted_at":"2016-05-25T21:31:15Z","abstract_excerpt":"We assess the predictive power of alchemical perturbations for estimating fundamental properties in ionic crystals. Using density functional theory we have calculated formation energies, lattice constants, and bulk moduli for all sixteen iso-valence-electronic combinations of pure pristine alkali halides involving elements $A \\in \\{$Na, K, Rb, Cs$\\}$ and $X \\in \\{$F, Cl, Br, I$\\}$. For rock salt, zincblende and cesium chloride symmetry, alchemical Hellmann-Feynman derivatives, evaluated along lattice scans of sixteen reference crystals, have been obtained for all respective 16$\\times$15 combin"},"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":"1605.08080","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-05-25T21:31:15Z","cross_cats_sorted":[],"title_canon_sha256":"a6afb59686b8304f965e50742789b42ddde1d06d2e271cfb370aa4aad34fb39f","abstract_canon_sha256":"41c53449eddef55055ee96332d54437e506ba097e559d3689bf540e959ca4243"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T01:13:37.191211Z","signature_b64":"EH2LiKXY8v9Z/GljTYPlDRHjWglYmx9Jy8HZZKGVPcHBSo4VERa5r4uxabZ+Pi3i5Dhpqg3f9ZtwPO/z8S0wCw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"7890ad38b56af900cd5187cd6b91e9e3509492439996e3f4a29645aeb1027a14","last_reissued_at":"2026-05-18T01:13:37.190544Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T01:13:37.190544Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Rapid yet accurate first principle based predictions of alkali halide crystal phases using alchemical perturbation","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Alisa Solovyeva, O. Anatole von Lilienfeld","submitted_at":"2016-05-25T21:31:15Z","abstract_excerpt":"We assess the predictive power of alchemical perturbations for estimating fundamental properties in ionic crystals. Using density functional theory we have calculated formation energies, lattice constants, and bulk moduli for all sixteen iso-valence-electronic combinations of pure pristine alkali halides involving elements $A \\in \\{$Na, K, Rb, Cs$\\}$ and $X \\in \\{$F, Cl, Br, I$\\}$. For rock salt, zincblende and cesium chloride symmetry, alchemical Hellmann-Feynman derivatives, evaluated along lattice scans of sixteen reference crystals, have been obtained for all respective 16$\\times$15 combin"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1605.08080","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":"1605.08080","created_at":"2026-05-18T01:13:37.190649+00:00"},{"alias_kind":"arxiv_version","alias_value":"1605.08080v1","created_at":"2026-05-18T01:13:37.190649+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1605.08080","created_at":"2026-05-18T01:13:37.190649+00:00"},{"alias_kind":"pith_short_12","alias_value":"PCIK2OFVNL4Q","created_at":"2026-05-18T12:30:39.010887+00:00"},{"alias_kind":"pith_short_16","alias_value":"PCIK2OFVNL4QBTKR","created_at":"2026-05-18T12:30:39.010887+00:00"},{"alias_kind":"pith_short_8","alias_value":"PCIK2OFV","created_at":"2026-05-18T12:30:39.010887+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/PCIK2OFVNL4QBTKRQ7GWXEPJ4N","json":"https://pith.science/pith/PCIK2OFVNL4QBTKRQ7GWXEPJ4N.json","graph_json":"https://pith.science/api/pith-number/PCIK2OFVNL4QBTKRQ7GWXEPJ4N/graph.json","events_json":"https://pith.science/api/pith-number/PCIK2OFVNL4QBTKRQ7GWXEPJ4N/events.json","paper":"https://pith.science/paper/PCIK2OFV"},"agent_actions":{"view_html":"https://pith.science/pith/PCIK2OFVNL4QBTKRQ7GWXEPJ4N","download_json":"https://pith.science/pith/PCIK2OFVNL4QBTKRQ7GWXEPJ4N.json","view_paper":"https://pith.science/paper/PCIK2OFV","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=1605.08080&json=true","fetch_graph":"https://pith.science/api/pith-number/PCIK2OFVNL4QBTKRQ7GWXEPJ4N/graph.json","fetch_events":"https://pith.science/api/pith-number/PCIK2OFVNL4QBTKRQ7GWXEPJ4N/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/PCIK2OFVNL4QBTKRQ7GWXEPJ4N/action/timestamp_anchor","attest_storage":"https://pith.science/pith/PCIK2OFVNL4QBTKRQ7GWXEPJ4N/action/storage_attestation","attest_author":"https://pith.science/pith/PCIK2OFVNL4QBTKRQ7GWXEPJ4N/action/author_attestation","sign_citation":"https://pith.science/pith/PCIK2OFVNL4QBTKRQ7GWXEPJ4N/action/citation_signature","submit_replication":"https://pith.science/pith/PCIK2OFVNL4QBTKRQ7GWXEPJ4N/action/replication_record"}},"created_at":"2026-05-18T01:13:37.190649+00:00","updated_at":"2026-05-18T01:13:37.190649+00:00"}