{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2016:56XX2YAHMPV3NQ2JRN5PQDVFUZ","short_pith_number":"pith:56XX2YAH","canonical_record":{"source":{"id":"1610.01746","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2016-10-06T06:46:15Z","cross_cats_sorted":["cond-mat.mtrl-sci"],"title_canon_sha256":"b52644abf5ab7fe36dc5f86d2439fb6068dc4c31d06196ff4926509bc2efcdc1","abstract_canon_sha256":"0a0d9fb3f2d12d10cef904de6b39bd1a60c0b8aeb037cdf48086207f7e0c6ce1"},"schema_version":"1.0"},"canonical_sha256":"efaf7d600763ebb6c3498b7af80ea5a6501e49f421946f2b26c33765ee17a476","source":{"kind":"arxiv","id":"1610.01746","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1610.01746","created_at":"2026-05-18T01:03:05Z"},{"alias_kind":"arxiv_version","alias_value":"1610.01746v1","created_at":"2026-05-18T01:03:05Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1610.01746","created_at":"2026-05-18T01:03:05Z"},{"alias_kind":"pith_short_12","alias_value":"56XX2YAHMPV3","created_at":"2026-05-18T12:29:58Z"},{"alias_kind":"pith_short_16","alias_value":"56XX2YAHMPV3NQ2J","created_at":"2026-05-18T12:29:58Z"},{"alias_kind":"pith_short_8","alias_value":"56XX2YAH","created_at":"2026-05-18T12:29:58Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2016:56XX2YAHMPV3NQ2JRN5PQDVFUZ","target":"record","payload":{"canonical_record":{"source":{"id":"1610.01746","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2016-10-06T06:46:15Z","cross_cats_sorted":["cond-mat.mtrl-sci"],"title_canon_sha256":"b52644abf5ab7fe36dc5f86d2439fb6068dc4c31d06196ff4926509bc2efcdc1","abstract_canon_sha256":"0a0d9fb3f2d12d10cef904de6b39bd1a60c0b8aeb037cdf48086207f7e0c6ce1"},"schema_version":"1.0"},"canonical_sha256":"efaf7d600763ebb6c3498b7af80ea5a6501e49f421946f2b26c33765ee17a476","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T01:03:05.023823Z","signature_b64":"bonShS0DKcAqGRl0/7mZ0IJWPdNTVHfkt0GSK0fp4LSWQX6YBoTphvNQWEPUiLlSMimofIuYCPXxkEPCBJVlBw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"efaf7d600763ebb6c3498b7af80ea5a6501e49f421946f2b26c33765ee17a476","last_reissued_at":"2026-05-18T01:03:05.023184Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T01:03:05.023184Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1610.01746","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":"2026-05-18T01:03:05Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"j4bRxMl8lj4jEz+DwHvxFSgysTnI9GV2SuUvJ9irbuXL9c1Im9bIOw3GKrKUaDRm1gJOUzHZDQCVWFosWDGbCA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-31T13:28:04.758641Z"},"content_sha256":"15475cf723c2afa79cf850f51312b675bc8a76e5d5b56a8a53f6695bab3d42fc","schema_version":"1.0","event_id":"sha256:15475cf723c2afa79cf850f51312b675bc8a76e5d5b56a8a53f6695bab3d42fc"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2016:56XX2YAHMPV3NQ2JRN5PQDVFUZ","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"An improved d-band model of the catalytic activity of magnetic transition metal surfaces","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.mtrl-sci"],"primary_cat":"physics.comp-ph","authors_text":"Satadeep Bhattacharjee, S. C. Lee, Umesh V Waghmare","submitted_at":"2016-10-06T06:46:15Z","abstract_excerpt":"The d-band center model of Hammer and N{\\o}rskov is widely used in understanding and predicting catalytic activity on transition metal (TM) surfaces. Here, we demonstrate that this model is inadequate for capturing the complete catalytic activity of the magnetically polarized TM surfaces and propose its generalization. We validate the generalized model through comparison of adsorption energies of the NH$_3$ molecule on the surfaces of 3d TMs (V, Cr, Mn, Fe, Co, Ni, Cu and Zn) determined with spin-polarized density functional theory (DFT)-based methods with the predictions of our model. Compare"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1610.01746","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":"2026-05-18T01:03:05Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"WdrWM/fpvyH1mlAZbiDL2XkNGYFZejGXj9nZV1qBvD1WsK8G6BYDHPEL3LpvbU1aXTOBQMwr7ExKe5C8n56QCQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-31T13:28:04.759423Z"},"content_sha256":"14642f6ce5a53238e7be89ebefa03e7a44ceccf55f3df1afaafcdc9b92bbacd3","schema_version":"1.0","event_id":"sha256:14642f6ce5a53238e7be89ebefa03e7a44ceccf55f3df1afaafcdc9b92bbacd3"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/56XX2YAHMPV3NQ2JRN5PQDVFUZ/bundle.json","state_url":"https://pith.science/pith/56XX2YAHMPV3NQ2JRN5PQDVFUZ/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/56XX2YAHMPV3NQ2JRN5PQDVFUZ/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":"2026-05-31T13:28:04Z","links":{"resolver":"https://pith.science/pith/56XX2YAHMPV3NQ2JRN5PQDVFUZ","bundle":"https://pith.science/pith/56XX2YAHMPV3NQ2JRN5PQDVFUZ/bundle.json","state":"https://pith.science/pith/56XX2YAHMPV3NQ2JRN5PQDVFUZ/state.json","well_known_bundle":"https://pith.science/.well-known/pith/56XX2YAHMPV3NQ2JRN5PQDVFUZ/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2016:56XX2YAHMPV3NQ2JRN5PQDVFUZ","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":"0a0d9fb3f2d12d10cef904de6b39bd1a60c0b8aeb037cdf48086207f7e0c6ce1","cross_cats_sorted":["cond-mat.mtrl-sci"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2016-10-06T06:46:15Z","title_canon_sha256":"b52644abf5ab7fe36dc5f86d2439fb6068dc4c31d06196ff4926509bc2efcdc1"},"schema_version":"1.0","source":{"id":"1610.01746","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1610.01746","created_at":"2026-05-18T01:03:05Z"},{"alias_kind":"arxiv_version","alias_value":"1610.01746v1","created_at":"2026-05-18T01:03:05Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1610.01746","created_at":"2026-05-18T01:03:05Z"},{"alias_kind":"pith_short_12","alias_value":"56XX2YAHMPV3","created_at":"2026-05-18T12:29:58Z"},{"alias_kind":"pith_short_16","alias_value":"56XX2YAHMPV3NQ2J","created_at":"2026-05-18T12:29:58Z"},{"alias_kind":"pith_short_8","alias_value":"56XX2YAH","created_at":"2026-05-18T12:29:58Z"}],"graph_snapshots":[{"event_id":"sha256:14642f6ce5a53238e7be89ebefa03e7a44ceccf55f3df1afaafcdc9b92bbacd3","target":"graph","created_at":"2026-05-18T01:03:05Z","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 d-band center model of Hammer and N{\\o}rskov is widely used in understanding and predicting catalytic activity on transition metal (TM) surfaces. Here, we demonstrate that this model is inadequate for capturing the complete catalytic activity of the magnetically polarized TM surfaces and propose its generalization. We validate the generalized model through comparison of adsorption energies of the NH$_3$ molecule on the surfaces of 3d TMs (V, Cr, Mn, Fe, Co, Ni, Cu and Zn) determined with spin-polarized density functional theory (DFT)-based methods with the predictions of our model. Compare","authors_text":"Satadeep Bhattacharjee, S. C. Lee, Umesh V Waghmare","cross_cats":["cond-mat.mtrl-sci"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2016-10-06T06:46:15Z","title":"An improved d-band model of the catalytic activity of magnetic transition metal surfaces"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1610.01746","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":"sha256:15475cf723c2afa79cf850f51312b675bc8a76e5d5b56a8a53f6695bab3d42fc","target":"record","created_at":"2026-05-18T01:03:05Z","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":"0a0d9fb3f2d12d10cef904de6b39bd1a60c0b8aeb037cdf48086207f7e0c6ce1","cross_cats_sorted":["cond-mat.mtrl-sci"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2016-10-06T06:46:15Z","title_canon_sha256":"b52644abf5ab7fe36dc5f86d2439fb6068dc4c31d06196ff4926509bc2efcdc1"},"schema_version":"1.0","source":{"id":"1610.01746","kind":"arxiv","version":1}},"canonical_sha256":"efaf7d600763ebb6c3498b7af80ea5a6501e49f421946f2b26c33765ee17a476","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"efaf7d600763ebb6c3498b7af80ea5a6501e49f421946f2b26c33765ee17a476","first_computed_at":"2026-05-18T01:03:05.023184Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T01:03:05.023184Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"bonShS0DKcAqGRl0/7mZ0IJWPdNTVHfkt0GSK0fp4LSWQX6YBoTphvNQWEPUiLlSMimofIuYCPXxkEPCBJVlBw==","signature_status":"signed_v1","signed_at":"2026-05-18T01:03:05.023823Z","signed_message":"canonical_sha256_bytes"},"source_id":"1610.01746","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:15475cf723c2afa79cf850f51312b675bc8a76e5d5b56a8a53f6695bab3d42fc","sha256:14642f6ce5a53238e7be89ebefa03e7a44ceccf55f3df1afaafcdc9b92bbacd3"],"state_sha256":"31176f7ad4934de87ae28f0ee4d6ee2c302239bd3074e10cf7fc994230b97be3"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"HZDWa63o9YlE2Z7BhMi/S4T4yI0r9FKer/oC/WajFQF7hn1rkDZzBCKBMnQXYjlC0lvEkYD2DekDKXbjc+M+AQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-05-31T13:28:04.763973Z","bundle_sha256":"6df41c5b0103c44d4a5badc822f40ee08c3447a0b4432903c5f318a06a6d51b9"}}