{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2025:6YICZ6RZIB2FS3FLUTWYZIXOGD","short_pith_number":"pith:6YICZ6RZ","canonical_record":{"source":{"id":"2505.24570","kind":"arxiv","version":3},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-05-30T13:23:28Z","cross_cats_sorted":[],"title_canon_sha256":"5d042d58acdba1bcfbffa5fac8e64ba7277be52a6ada7c75254d0adae2ab8c24","abstract_canon_sha256":"b019ff1014ad590c8fe176e2c076fbad350836225f683e0c22b61e3ca4287660"},"schema_version":"1.0"},"canonical_sha256":"f6102cfa394074596caba4ed8ca2ee30ed4305d21dada982df37c8825be0e2eb","source":{"kind":"arxiv","id":"2505.24570","version":3},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2505.24570","created_at":"2026-06-03T01:05:44Z"},{"alias_kind":"arxiv_version","alias_value":"2505.24570v3","created_at":"2026-06-03T01:05:44Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2505.24570","created_at":"2026-06-03T01:05:44Z"},{"alias_kind":"pith_short_12","alias_value":"6YICZ6RZIB2F","created_at":"2026-06-03T01:05:44Z"},{"alias_kind":"pith_short_16","alias_value":"6YICZ6RZIB2FS3FL","created_at":"2026-06-03T01:05:44Z"},{"alias_kind":"pith_short_8","alias_value":"6YICZ6RZ","created_at":"2026-06-03T01:05:44Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2025:6YICZ6RZIB2FS3FLUTWYZIXOGD","target":"record","payload":{"canonical_record":{"source":{"id":"2505.24570","kind":"arxiv","version":3},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-05-30T13:23:28Z","cross_cats_sorted":[],"title_canon_sha256":"5d042d58acdba1bcfbffa5fac8e64ba7277be52a6ada7c75254d0adae2ab8c24","abstract_canon_sha256":"b019ff1014ad590c8fe176e2c076fbad350836225f683e0c22b61e3ca4287660"},"schema_version":"1.0"},"canonical_sha256":"f6102cfa394074596caba4ed8ca2ee30ed4305d21dada982df37c8825be0e2eb","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-06-03T01:05:44.169299Z","signature_b64":"kPDm7wliNQiSj8PTXCcDuzOrkHpVtOdq2gqd6CrnZ8FZmiyTaNH/v6pWZJQDJP1Rn52wwJywBIHIYKgcJcNkAg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"f6102cfa394074596caba4ed8ca2ee30ed4305d21dada982df37c8825be0e2eb","last_reissued_at":"2026-06-03T01:05:44.168690Z","signature_status":"signed_v1","first_computed_at":"2026-06-03T01:05:44.168690Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2505.24570","source_version":3,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-06-03T01:05:44Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"G4CNiKazNm42+ak6Cztad7hl807hm3JQ9WZOY8aJpgg7uAZ8MmvwCDqTOK4s2QFxnaDqrntEmuwBoIO73Yo9Bw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-07T23:03:32.015839Z"},"content_sha256":"8c9bb33ea8f3dd195ffd3e15239f6894fa3865002c561cc87f9f7ca294510ee8","schema_version":"1.0","event_id":"sha256:8c9bb33ea8f3dd195ffd3e15239f6894fa3865002c561cc87f9f7ca294510ee8"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2025:6YICZ6RZIB2FS3FLUTWYZIXOGD","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Hydrogen defects as probes of band alignment in metal-organic frameworks","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Khang Hoang","submitted_at":"2025-05-30T13:23:28Z","abstract_excerpt":"Band alignment, namely the prediction of band-edge positions of semiconductors and insulators in aqueous solutions, is an important problem in physics and chemistry. Such a prediction is especially challenging for structurally and chemically complex, multi-component materials. Here we present an approach to align band structure of metal-organic frameworks (MOFs) on an absolute energy scale which can be used for direct comparison with experiments. Hydrogen defects are used as probes into the chemical bonding of the hybrid inorganic-organic materials. An effective hydrogen defect level, defined "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2505.24570","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":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2505.24570/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"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":"2026-06-03T01:05:44Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"q5PvwKoAroob+vtlkLQqWTR22sOMkZCrk2TlAIID3khERZ0NQrtShtUDRUkaSolWPzJprtbEtiuMyJQZ6wNiAQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-07T23:03:32.016349Z"},"content_sha256":"3cf92219e90d431de4ce28be10c04e3dc343cd677c170c2428878187be872762","schema_version":"1.0","event_id":"sha256:3cf92219e90d431de4ce28be10c04e3dc343cd677c170c2428878187be872762"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/6YICZ6RZIB2FS3FLUTWYZIXOGD/bundle.json","state_url":"https://pith.science/pith/6YICZ6RZIB2FS3FLUTWYZIXOGD/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/6YICZ6RZIB2FS3FLUTWYZIXOGD/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":"2026-08-07T23:03:32Z","links":{"resolver":"https://pith.science/pith/6YICZ6RZIB2FS3FLUTWYZIXOGD","bundle":"https://pith.science/pith/6YICZ6RZIB2FS3FLUTWYZIXOGD/bundle.json","state":"https://pith.science/pith/6YICZ6RZIB2FS3FLUTWYZIXOGD/state.json","well_known_bundle":"https://pith.science/.well-known/pith/6YICZ6RZIB2FS3FLUTWYZIXOGD/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2025:6YICZ6RZIB2FS3FLUTWYZIXOGD","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":"b019ff1014ad590c8fe176e2c076fbad350836225f683e0c22b61e3ca4287660","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-05-30T13:23:28Z","title_canon_sha256":"5d042d58acdba1bcfbffa5fac8e64ba7277be52a6ada7c75254d0adae2ab8c24"},"schema_version":"1.0","source":{"id":"2505.24570","kind":"arxiv","version":3}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2505.24570","created_at":"2026-06-03T01:05:44Z"},{"alias_kind":"arxiv_version","alias_value":"2505.24570v3","created_at":"2026-06-03T01:05:44Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2505.24570","created_at":"2026-06-03T01:05:44Z"},{"alias_kind":"pith_short_12","alias_value":"6YICZ6RZIB2F","created_at":"2026-06-03T01:05:44Z"},{"alias_kind":"pith_short_16","alias_value":"6YICZ6RZIB2FS3FL","created_at":"2026-06-03T01:05:44Z"},{"alias_kind":"pith_short_8","alias_value":"6YICZ6RZ","created_at":"2026-06-03T01:05:44Z"}],"graph_snapshots":[{"event_id":"sha256:3cf92219e90d431de4ce28be10c04e3dc343cd677c170c2428878187be872762","target":"graph","created_at":"2026-06-03T01:05:44Z","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"},"integrity":{"available":true,"clean":true,"detectors_run":[],"endpoint":"/pith/2505.24570/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Band alignment, namely the prediction of band-edge positions of semiconductors and insulators in aqueous solutions, is an important problem in physics and chemistry. Such a prediction is especially challenging for structurally and chemically complex, multi-component materials. Here we present an approach to align band structure of metal-organic frameworks (MOFs) on an absolute energy scale which can be used for direct comparison with experiments. Hydrogen defects are used as probes into the chemical bonding of the hybrid inorganic-organic materials. An effective hydrogen defect level, defined ","authors_text":"Khang Hoang","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-05-30T13:23:28Z","title":"Hydrogen defects as probes of band alignment in metal-organic frameworks"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2505.24570","kind":"arxiv","version":3},"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":"sha256:8c9bb33ea8f3dd195ffd3e15239f6894fa3865002c561cc87f9f7ca294510ee8","target":"record","created_at":"2026-06-03T01:05:44Z","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":"b019ff1014ad590c8fe176e2c076fbad350836225f683e0c22b61e3ca4287660","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-05-30T13:23:28Z","title_canon_sha256":"5d042d58acdba1bcfbffa5fac8e64ba7277be52a6ada7c75254d0adae2ab8c24"},"schema_version":"1.0","source":{"id":"2505.24570","kind":"arxiv","version":3}},"canonical_sha256":"f6102cfa394074596caba4ed8ca2ee30ed4305d21dada982df37c8825be0e2eb","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"f6102cfa394074596caba4ed8ca2ee30ed4305d21dada982df37c8825be0e2eb","first_computed_at":"2026-06-03T01:05:44.168690Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-06-03T01:05:44.168690Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"kPDm7wliNQiSj8PTXCcDuzOrkHpVtOdq2gqd6CrnZ8FZmiyTaNH/v6pWZJQDJP1Rn52wwJywBIHIYKgcJcNkAg==","signature_status":"signed_v1","signed_at":"2026-06-03T01:05:44.169299Z","signed_message":"canonical_sha256_bytes"},"source_id":"2505.24570","source_kind":"arxiv","source_version":3}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:8c9bb33ea8f3dd195ffd3e15239f6894fa3865002c561cc87f9f7ca294510ee8","sha256:3cf92219e90d431de4ce28be10c04e3dc343cd677c170c2428878187be872762"],"state_sha256":"4cb1e316b848aa9c5a199cc6a8de32d7f3d71e44e55c179e3d7fdf96e17437e4"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"nD6k35gVn1hDI0BB+67dtg0cSN++C7BTGu3J43y99K9VQm8Sugo3pOzG7Ppdam0kNf4WknmWtZ3cWPy/5cVkDg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-07T23:03:32.022084Z","bundle_sha256":"0bc685820c355ec78197b6531e5b103a1962f22057c3241208a05f776d599052"}}