{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2021:L6RE3DCHL55RP2OLZEGFYFYR5J","short_pith_number":"pith:L6RE3DCH","schema_version":"1.0","canonical_sha256":"5fa24d8c475f7b17e9cbc90c5c1711ea4bea462b80f101e897387904e8cdc821","source":{"kind":"arxiv","id":"2104.00441","version":1},"attestation_state":"computed","paper":{"title":"Ab initio random structure searching for battery cathode materials","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Benjamin W. B. Shires, Bonan Zhu, Chris J. Pickard, David O. Scanlon, Ziheng Lu","submitted_at":"2021-04-01T12:48:26Z","abstract_excerpt":"Cathodes are critical components of rechargeable batteries. Conventionally, the search for cathode materials relies on experimental trial-and-error and a traversing of existing computational/experimental databases. While these methods have led to the discovery of several commercially-viable cathode materials, the chemical space explored so far is limited and many phases will have been overlooked, in particular those that are metastable. We describe a computational framework for battery cathode exploration, based on ab initio random structure searching (AIRSS), an approach that samples local mi"},"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":"2104.00441","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2021-04-01T12:48:26Z","cross_cats_sorted":[],"title_canon_sha256":"0b2db71c17520bea6fb748ad438e827dd8bb02d39f1d3857ac750c5d83aee31b","abstract_canon_sha256":"b0b7873cb3f2ff5f1105be1e1c65a2e92011986b44bd7a6fe22c390f0af27a04"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T02:41:19.072278Z","signature_b64":"s8xK43ZE4Ycf7NVT/yKgfyAMv64yrytUXJOz9gfsBoWhQqePLIRCI4bszbicDQbXn49EJd0n0kXzTKmH7+RLCg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"5fa24d8c475f7b17e9cbc90c5c1711ea4bea462b80f101e897387904e8cdc821","last_reissued_at":"2026-07-05T02:41:19.071815Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T02:41:19.071815Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Ab initio random structure searching for battery cathode materials","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Benjamin W. B. Shires, Bonan Zhu, Chris J. Pickard, David O. Scanlon, Ziheng Lu","submitted_at":"2021-04-01T12:48:26Z","abstract_excerpt":"Cathodes are critical components of rechargeable batteries. Conventionally, the search for cathode materials relies on experimental trial-and-error and a traversing of existing computational/experimental databases. While these methods have led to the discovery of several commercially-viable cathode materials, the chemical space explored so far is limited and many phases will have been overlooked, in particular those that are metastable. We describe a computational framework for battery cathode exploration, based on ab initio random structure searching (AIRSS), an approach that samples local mi"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2104.00441","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/2104.00441/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"},"aliases":[{"alias_kind":"arxiv","alias_value":"2104.00441","created_at":"2026-07-05T02:41:19.071877+00:00"},{"alias_kind":"arxiv_version","alias_value":"2104.00441v1","created_at":"2026-07-05T02:41:19.071877+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2104.00441","created_at":"2026-07-05T02:41:19.071877+00:00"},{"alias_kind":"pith_short_12","alias_value":"L6RE3DCHL55R","created_at":"2026-07-05T02:41:19.071877+00:00"},{"alias_kind":"pith_short_16","alias_value":"L6RE3DCHL55RP2OL","created_at":"2026-07-05T02:41:19.071877+00:00"},{"alias_kind":"pith_short_8","alias_value":"L6RE3DCH","created_at":"2026-07-05T02:41:19.071877+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/L6RE3DCHL55RP2OLZEGFYFYR5J","json":"https://pith.science/pith/L6RE3DCHL55RP2OLZEGFYFYR5J.json","graph_json":"https://pith.science/api/pith-number/L6RE3DCHL55RP2OLZEGFYFYR5J/graph.json","events_json":"https://pith.science/api/pith-number/L6RE3DCHL55RP2OLZEGFYFYR5J/events.json","paper":"https://pith.science/paper/L6RE3DCH"},"agent_actions":{"view_html":"https://pith.science/pith/L6RE3DCHL55RP2OLZEGFYFYR5J","download_json":"https://pith.science/pith/L6RE3DCHL55RP2OLZEGFYFYR5J.json","view_paper":"https://pith.science/paper/L6RE3DCH","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=2104.00441&json=true","fetch_graph":"https://pith.science/api/pith-number/L6RE3DCHL55RP2OLZEGFYFYR5J/graph.json","fetch_events":"https://pith.science/api/pith-number/L6RE3DCHL55RP2OLZEGFYFYR5J/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/L6RE3DCHL55RP2OLZEGFYFYR5J/action/timestamp_anchor","attest_storage":"https://pith.science/pith/L6RE3DCHL55RP2OLZEGFYFYR5J/action/storage_attestation","attest_author":"https://pith.science/pith/L6RE3DCHL55RP2OLZEGFYFYR5J/action/author_attestation","sign_citation":"https://pith.science/pith/L6RE3DCHL55RP2OLZEGFYFYR5J/action/citation_signature","submit_replication":"https://pith.science/pith/L6RE3DCHL55RP2OLZEGFYFYR5J/action/replication_record"}},"created_at":"2026-07-05T02:41:19.071877+00:00","updated_at":"2026-07-05T02:41:19.071877+00:00"}