{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2005:HP7WS32SMJQ3BRA2MZXL6PPV46","short_pith_number":"pith:HP7WS32S","canonical_record":{"source":{"id":"cond-mat/0503074","kind":"arxiv","version":1},"metadata":{"license":"","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2005-03-03T16:04:29Z","cross_cats_sorted":[],"title_canon_sha256":"0590275e5f44522d7e1d6fd8925ae3ec5ad5410f5a1895446b052da7b8972960","abstract_canon_sha256":"16a2ac1d1db99f2e0ed671dabfee0f0e5731857d10f0f47112dbbb5e4880264d"},"schema_version":"1.0"},"canonical_sha256":"3bff696f526261b0c41a666ebf3df5e78d004df45903851c13590526a33a47d8","source":{"kind":"arxiv","id":"cond-mat/0503074","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"cond-mat/0503074","created_at":"2026-05-18T01:08:58Z"},{"alias_kind":"arxiv_version","alias_value":"cond-mat/0503074v1","created_at":"2026-05-18T01:08:58Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.cond-mat/0503074","created_at":"2026-05-18T01:08:58Z"},{"alias_kind":"pith_short_12","alias_value":"HP7WS32SMJQ3","created_at":"2026-05-18T12:25:53Z"},{"alias_kind":"pith_short_16","alias_value":"HP7WS32SMJQ3BRA2","created_at":"2026-05-18T12:25:53Z"},{"alias_kind":"pith_short_8","alias_value":"HP7WS32S","created_at":"2026-05-18T12:25:53Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2005:HP7WS32SMJQ3BRA2MZXL6PPV46","target":"record","payload":{"canonical_record":{"source":{"id":"cond-mat/0503074","kind":"arxiv","version":1},"metadata":{"license":"","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2005-03-03T16:04:29Z","cross_cats_sorted":[],"title_canon_sha256":"0590275e5f44522d7e1d6fd8925ae3ec5ad5410f5a1895446b052da7b8972960","abstract_canon_sha256":"16a2ac1d1db99f2e0ed671dabfee0f0e5731857d10f0f47112dbbb5e4880264d"},"schema_version":"1.0"},"canonical_sha256":"3bff696f526261b0c41a666ebf3df5e78d004df45903851c13590526a33a47d8","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T01:08:58.556670Z","signature_b64":"cwlrEuj3nec9P2dK9SutWb0GapSMzDxuzPecn1YhxbZldxrlJDEeV91HdJazJ5hJBM6xajKoJ7y2worIVzIfAQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"3bff696f526261b0c41a666ebf3df5e78d004df45903851c13590526a33a47d8","last_reissued_at":"2026-05-18T01:08:58.556114Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T01:08:58.556114Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"cond-mat/0503074","source_version":1,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-18T01:08:58Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"+17HMhP3MbNYoujMAfrs1NXOHUElTMqDlufjaqus0JLZypiqRqcrUBpSzhldSi8R6uuulHvu3JqxVUWKFO6fBw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-26T10:38:27.914363Z"},"content_sha256":"0649c58e106afa39526a85417e00e198d7bfd71e1f629c1523dd16cfe2376f2d","schema_version":"1.0","event_id":"sha256:0649c58e106afa39526a85417e00e198d7bfd71e1f629c1523dd16cfe2376f2d"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2005:HP7WS32SMJQ3BRA2MZXL6PPV46","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"The Schottky defect formation energy in MgO calculated by diffusion Monte Carlo","license":"","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"D. Alf\\`e, M. J. Gillan","submitted_at":"2005-03-03T16:04:29Z","abstract_excerpt":"The energetics of point defects in oxide materials plays a major role in determining their high-temperature properties, but experimental measurements are difficult, and calculations based on density functional theory (DFT) are not necessarily reliable. We report quantum Monte Carlo (QMC) calculations of the formation energy $E_{\\rm S}$ of Schottky defects in MgO, which demonstrate the feasibility of using this approach to overcome the deficiencies of DFT. In order to investigate system-size errors, we also report DFT calculations of $E_{\\rm S}$ on repeating cells of up to $\\sim 1000$ atoms, wh"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"cond-mat/0503074","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"},"verdict_id":null},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-18T01:08:58Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"raxBKa2ALW8mUKR8ojfgrg7ip+41cgyvhD7bsPMT2HYuOPF1vW2/bbb/bbt4pubZflrXlQqlk4C6GvZrzL9iCw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-26T10:38:27.914800Z"},"content_sha256":"890cddb3e1f62f9045615112b42022856fb44e3161cbada6452ed2d08982f0d6","schema_version":"1.0","event_id":"sha256:890cddb3e1f62f9045615112b42022856fb44e3161cbada6452ed2d08982f0d6"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/HP7WS32SMJQ3BRA2MZXL6PPV46/bundle.json","state_url":"https://pith.science/pith/HP7WS32SMJQ3BRA2MZXL6PPV46/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/HP7WS32SMJQ3BRA2MZXL6PPV46/bundle.json","status":"primary"}],"public_keys":[{"key_id":"pith-v1-2026-05","algorithm":"ed25519","format":"raw","public_key_b64":"stVStoiQhXFxp4s2pdzPNoqVNBMojDU/fJ2db5S3CbM=","public_key_hex":"b2d552b68890857171a78b36a5dccf368a953413288c353f7c9d9d6f94b709b3","fingerprint_sha256_b32_first128bits":"RVFV5Z2OI2J3ZUO7ERDEBCYNKS","fingerprint_sha256_hex":"8d4b5ee74e4693bcd1df2446408b0d54","rotates_at":null,"url":"https://pith.science/pith-signing-key.json","notes":"Pith uses this Ed25519 key to sign canonical record SHA-256 digests. Verify with: ed25519_verify(public_key, message=canonical_sha256_bytes, signature=base64decode(signature_b64))."}],"merge_version":"pith-open-graph-merge-v1","built_at":"2026-05-26T10:38:27Z","links":{"resolver":"https://pith.science/pith/HP7WS32SMJQ3BRA2MZXL6PPV46","bundle":"https://pith.science/pith/HP7WS32SMJQ3BRA2MZXL6PPV46/bundle.json","state":"https://pith.science/pith/HP7WS32SMJQ3BRA2MZXL6PPV46/state.json","well_known_bundle":"https://pith.science/.well-known/pith/HP7WS32SMJQ3BRA2MZXL6PPV46/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2005:HP7WS32SMJQ3BRA2MZXL6PPV46","merge_version":"pith-open-graph-merge-v1","event_count":2,"valid_event_count":2,"invalid_event_count":0,"equivocation_count":0,"current":{"canonical_record":{"metadata":{"abstract_canon_sha256":"16a2ac1d1db99f2e0ed671dabfee0f0e5731857d10f0f47112dbbb5e4880264d","cross_cats_sorted":[],"license":"","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2005-03-03T16:04:29Z","title_canon_sha256":"0590275e5f44522d7e1d6fd8925ae3ec5ad5410f5a1895446b052da7b8972960"},"schema_version":"1.0","source":{"id":"cond-mat/0503074","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"cond-mat/0503074","created_at":"2026-05-18T01:08:58Z"},{"alias_kind":"arxiv_version","alias_value":"cond-mat/0503074v1","created_at":"2026-05-18T01:08:58Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.cond-mat/0503074","created_at":"2026-05-18T01:08:58Z"},{"alias_kind":"pith_short_12","alias_value":"HP7WS32SMJQ3","created_at":"2026-05-18T12:25:53Z"},{"alias_kind":"pith_short_16","alias_value":"HP7WS32SMJQ3BRA2","created_at":"2026-05-18T12:25:53Z"},{"alias_kind":"pith_short_8","alias_value":"HP7WS32S","created_at":"2026-05-18T12:25:53Z"}],"graph_snapshots":[{"event_id":"sha256:890cddb3e1f62f9045615112b42022856fb44e3161cbada6452ed2d08982f0d6","target":"graph","created_at":"2026-05-18T01:08:58Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"graph_snapshot":{"author_claims":{"count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","strong_count":0},"builder_version":"pith-number-builder-2026-05-17-v1","claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"paper":{"abstract_excerpt":"The energetics of point defects in oxide materials plays a major role in determining their high-temperature properties, but experimental measurements are difficult, and calculations based on density functional theory (DFT) are not necessarily reliable. We report quantum Monte Carlo (QMC) calculations of the formation energy $E_{\\rm S}$ of Schottky defects in MgO, which demonstrate the feasibility of using this approach to overcome the deficiencies of DFT. In order to investigate system-size errors, we also report DFT calculations of $E_{\\rm S}$ on repeating cells of up to $\\sim 1000$ atoms, wh","authors_text":"D. Alf\\`e, M. J. Gillan","cross_cats":[],"headline":"","license":"","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2005-03-03T16:04:29Z","title":"The Schottky defect formation energy in MgO calculated by diffusion Monte Carlo"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"cond-mat/0503074","kind":"arxiv","version":1},"verdict":{"created_at":null,"id":null,"model_set":{},"one_line_summary":"","pipeline_version":null,"pith_extraction_headline":"","strongest_claim":"","weakest_assumption":""}},"verdict_id":null}}],"author_attestations":[],"timestamp_anchors":[],"storage_attestations":[],"citation_signatures":[],"replication_records":[],"corrections":[],"mirror_hints":[],"record_created":{"event_id":"sha256:0649c58e106afa39526a85417e00e198d7bfd71e1f629c1523dd16cfe2376f2d","target":"record","created_at":"2026-05-18T01:08:58Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"attestation_state":"computed","canonical_record":{"metadata":{"abstract_canon_sha256":"16a2ac1d1db99f2e0ed671dabfee0f0e5731857d10f0f47112dbbb5e4880264d","cross_cats_sorted":[],"license":"","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2005-03-03T16:04:29Z","title_canon_sha256":"0590275e5f44522d7e1d6fd8925ae3ec5ad5410f5a1895446b052da7b8972960"},"schema_version":"1.0","source":{"id":"cond-mat/0503074","kind":"arxiv","version":1}},"canonical_sha256":"3bff696f526261b0c41a666ebf3df5e78d004df45903851c13590526a33a47d8","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"3bff696f526261b0c41a666ebf3df5e78d004df45903851c13590526a33a47d8","first_computed_at":"2026-05-18T01:08:58.556114Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T01:08:58.556114Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"cwlrEuj3nec9P2dK9SutWb0GapSMzDxuzPecn1YhxbZldxrlJDEeV91HdJazJ5hJBM6xajKoJ7y2worIVzIfAQ==","signature_status":"signed_v1","signed_at":"2026-05-18T01:08:58.556670Z","signed_message":"canonical_sha256_bytes"},"source_id":"cond-mat/0503074","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:0649c58e106afa39526a85417e00e198d7bfd71e1f629c1523dd16cfe2376f2d","sha256:890cddb3e1f62f9045615112b42022856fb44e3161cbada6452ed2d08982f0d6"],"state_sha256":"4638705443d6c40dc76a21a332a69c4895cc104e9d534326607bc13c9d8cd4fa"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"vW0vMN+R8JTZAAH++H+42yWmqclKdWStyQORNvEmYaDnEzUo85lbv1iyli2uBi2CRq60fVSz3QkIDe42jOg7Bg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-05-26T10:38:27.917752Z","bundle_sha256":"5701ea3a79148ca3db8f6f682703cdbac4e368584b42579bc8d9f97625ae60e2"}}