{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2025:5HJ3PKEIKLL7CU6TT3OAQA4JJQ","short_pith_number":"pith:5HJ3PKEI","canonical_record":{"source":{"id":"2506.13169","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-06-16T07:32:47Z","cross_cats_sorted":[],"title_canon_sha256":"29263f94af4a9b098468dafa692c2ade7bd28d60d93aed599306cfba9dc932bf","abstract_canon_sha256":"f4af17c4916680109fe192bf15ae9bd2ce16e28522084b96bb70bc7d1e6d1f73"},"schema_version":"1.0"},"canonical_sha256":"e9d3b7a88852d7f153d39edc0803894c3585a678941c7755724079c91298c63d","source":{"kind":"arxiv","id":"2506.13169","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2506.13169","created_at":"2026-07-05T11:22:06Z"},{"alias_kind":"arxiv_version","alias_value":"2506.13169v1","created_at":"2026-07-05T11:22:06Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2506.13169","created_at":"2026-07-05T11:22:06Z"},{"alias_kind":"pith_short_12","alias_value":"5HJ3PKEIKLL7","created_at":"2026-07-05T11:22:06Z"},{"alias_kind":"pith_short_16","alias_value":"5HJ3PKEIKLL7CU6T","created_at":"2026-07-05T11:22:06Z"},{"alias_kind":"pith_short_8","alias_value":"5HJ3PKEI","created_at":"2026-07-05T11:22:06Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2025:5HJ3PKEIKLL7CU6TT3OAQA4JJQ","target":"record","payload":{"canonical_record":{"source":{"id":"2506.13169","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-06-16T07:32:47Z","cross_cats_sorted":[],"title_canon_sha256":"29263f94af4a9b098468dafa692c2ade7bd28d60d93aed599306cfba9dc932bf","abstract_canon_sha256":"f4af17c4916680109fe192bf15ae9bd2ce16e28522084b96bb70bc7d1e6d1f73"},"schema_version":"1.0"},"canonical_sha256":"e9d3b7a88852d7f153d39edc0803894c3585a678941c7755724079c91298c63d","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T11:22:06.192365Z","signature_b64":"gawI9ieae6tdenmc0oWx8CK+71tqP4zxebx6HEiDOVOGzjI6vo+cmYcm209Sg75dl7eIV+rzROicMs7IYT1eAg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"e9d3b7a88852d7f153d39edc0803894c3585a678941c7755724079c91298c63d","last_reissued_at":"2026-07-05T11:22:06.191884Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T11:22:06.191884Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2506.13169","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":"2026-07-05T11:22:06Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"bU2TfJ/f9VAiFVXnKjB5Sq9hucBsgDPkghlCq2jW/r1oWEogPG/WpYm8SEFOI1ew6yYxefaOzyyiwThOBhRCAg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-21T15:23:26.065945Z"},"content_sha256":"b14a4adb64cea85bf96bbbdbe78ba26196a448dc2cdc9de5f5c641a944ae496b","schema_version":"1.0","event_id":"sha256:b14a4adb64cea85bf96bbbdbe78ba26196a448dc2cdc9de5f5c641a944ae496b"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2025:5HJ3PKEIKLL7CU6TT3OAQA4JJQ","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Hydrogen bond symmetrization in high-pressure ice clathrates","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Alasdair Nicholls, Livia Eleonora Bove, Lorenzo Monacelli, Maria Rescigno, Simone Di Cataldo, Umbertoluca Ranieri","submitted_at":"2025-06-16T07:32:47Z","abstract_excerpt":"Hydrogen bond symmetrization is a fundamental pressure-induced transformation in which the distinction between donor and acceptor sites vanishes, resulting in a symmetric hydrogen-bond network. While extensively studied in pure ice, most notably during the ice VII to ice X transition, this phenomenon remains less well characterized in hydrogen hydrates. In this work, we investigate hydrogen bond symmetrization in the high-pressure phases of hydrogen hydrate (H2-H2O and H2-D2O) through a combined approach of Raman spectroscopy and first-principles quantum atomistic simulations. We focus on the "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2506.13169","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":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2506.13169/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":"2026-07-05T11:22:06Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"wzeUkl2WRdWM/XBtwqWfjYAgRbJ5kkS0v2KnpWMYDhvhHbT8I1DnbnCIw7pjuMv3ZWElBsuU3Re4VuiHx4qgAA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-21T15:23:26.066352Z"},"content_sha256":"750cf157bd1c83fb043e9f92e65d5cc5432b030e4eca6b4bd2a56dca7c0d4417","schema_version":"1.0","event_id":"sha256:750cf157bd1c83fb043e9f92e65d5cc5432b030e4eca6b4bd2a56dca7c0d4417"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/5HJ3PKEIKLL7CU6TT3OAQA4JJQ/bundle.json","state_url":"https://pith.science/pith/5HJ3PKEIKLL7CU6TT3OAQA4JJQ/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/5HJ3PKEIKLL7CU6TT3OAQA4JJQ/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":"2026-07-21T15:23:26Z","links":{"resolver":"https://pith.science/pith/5HJ3PKEIKLL7CU6TT3OAQA4JJQ","bundle":"https://pith.science/pith/5HJ3PKEIKLL7CU6TT3OAQA4JJQ/bundle.json","state":"https://pith.science/pith/5HJ3PKEIKLL7CU6TT3OAQA4JJQ/state.json","well_known_bundle":"https://pith.science/.well-known/pith/5HJ3PKEIKLL7CU6TT3OAQA4JJQ/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2025:5HJ3PKEIKLL7CU6TT3OAQA4JJQ","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":"f4af17c4916680109fe192bf15ae9bd2ce16e28522084b96bb70bc7d1e6d1f73","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-06-16T07:32:47Z","title_canon_sha256":"29263f94af4a9b098468dafa692c2ade7bd28d60d93aed599306cfba9dc932bf"},"schema_version":"1.0","source":{"id":"2506.13169","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2506.13169","created_at":"2026-07-05T11:22:06Z"},{"alias_kind":"arxiv_version","alias_value":"2506.13169v1","created_at":"2026-07-05T11:22:06Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2506.13169","created_at":"2026-07-05T11:22:06Z"},{"alias_kind":"pith_short_12","alias_value":"5HJ3PKEIKLL7","created_at":"2026-07-05T11:22:06Z"},{"alias_kind":"pith_short_16","alias_value":"5HJ3PKEIKLL7CU6T","created_at":"2026-07-05T11:22:06Z"},{"alias_kind":"pith_short_8","alias_value":"5HJ3PKEI","created_at":"2026-07-05T11:22:06Z"}],"graph_snapshots":[{"event_id":"sha256:750cf157bd1c83fb043e9f92e65d5cc5432b030e4eca6b4bd2a56dca7c0d4417","target":"graph","created_at":"2026-07-05T11:22:06Z","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/2506.13169/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Hydrogen bond symmetrization is a fundamental pressure-induced transformation in which the distinction between donor and acceptor sites vanishes, resulting in a symmetric hydrogen-bond network. While extensively studied in pure ice, most notably during the ice VII to ice X transition, this phenomenon remains less well characterized in hydrogen hydrates. In this work, we investigate hydrogen bond symmetrization in the high-pressure phases of hydrogen hydrate (H2-H2O and H2-D2O) through a combined approach of Raman spectroscopy and first-principles quantum atomistic simulations. We focus on the ","authors_text":"Alasdair Nicholls, Livia Eleonora Bove, Lorenzo Monacelli, Maria Rescigno, Simone Di Cataldo, Umbertoluca Ranieri","cross_cats":[],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-06-16T07:32:47Z","title":"Hydrogen bond symmetrization in high-pressure ice clathrates"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2506.13169","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:b14a4adb64cea85bf96bbbdbe78ba26196a448dc2cdc9de5f5c641a944ae496b","target":"record","created_at":"2026-07-05T11:22:06Z","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":"f4af17c4916680109fe192bf15ae9bd2ce16e28522084b96bb70bc7d1e6d1f73","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-06-16T07:32:47Z","title_canon_sha256":"29263f94af4a9b098468dafa692c2ade7bd28d60d93aed599306cfba9dc932bf"},"schema_version":"1.0","source":{"id":"2506.13169","kind":"arxiv","version":1}},"canonical_sha256":"e9d3b7a88852d7f153d39edc0803894c3585a678941c7755724079c91298c63d","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"e9d3b7a88852d7f153d39edc0803894c3585a678941c7755724079c91298c63d","first_computed_at":"2026-07-05T11:22:06.191884Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T11:22:06.191884Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"gawI9ieae6tdenmc0oWx8CK+71tqP4zxebx6HEiDOVOGzjI6vo+cmYcm209Sg75dl7eIV+rzROicMs7IYT1eAg==","signature_status":"signed_v1","signed_at":"2026-07-05T11:22:06.192365Z","signed_message":"canonical_sha256_bytes"},"source_id":"2506.13169","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:b14a4adb64cea85bf96bbbdbe78ba26196a448dc2cdc9de5f5c641a944ae496b","sha256:750cf157bd1c83fb043e9f92e65d5cc5432b030e4eca6b4bd2a56dca7c0d4417"],"state_sha256":"3c661e47d2aaed291d357e38e1afefeceb4ad898e7b9dbc638c3ac5173945dc4"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"81SrGQ+gS4ryD+k1IxBpEoxyYcxbQVPmbiLZA8YX0c2BeQbiWXDsJGfksVsBj0HVh13hqExIoDYMHTGsQj9FCw==","signed_message":"bundle_sha256_bytes","signed_at":"2026-07-21T15:23:26.069015Z","bundle_sha256":"a7893e139fff109b2db209f1dc3d49a766baea358e0a7fc8c0c86509941f4584"}}