{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2024:Z5CO6X34RSE2R6OFFEYQEH6ZHO","short_pith_number":"pith:Z5CO6X34","schema_version":"1.0","canonical_sha256":"cf44ef5f7c8c89a8f9c52931021fd93b9ce41b5650aecc52a337f2e8fdfa144a","source":{"kind":"arxiv","id":"2412.16816","version":3},"attestation_state":"computed","paper":{"title":"The Interplay Between Electron Localization, Magnetic Order, and Jahn-Teller Distortion that Dictates LiMnO$_2$ Phase Stability","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Aaron D. Kaplan, Gerbrand Ceder, Kristin A. Persson, Luca Binci, Nicola Marzari, Ronald L. Kam","submitted_at":"2024-12-22T01:29:22Z","abstract_excerpt":"The development of Mn-rich cathodes for Li-ion batteries promises to alleviate supply chain bottlenecks in battery manufacturing. Challenges in Mn-rich cathodes arise from Jahn-Teller (JT) distortions of Mn$^{3+}$, Mn migration, and phase transformations to spinel-like order, which can affect the electrochemical performance. These phenomena motivate an ab initio re-examination of the thermodynamics of the LiMnO2 polymorphs. It is found that the generalized gradient approximation (GGA - PBEsol) and meta-GGA (r2SCAN) density functionals with empirical on-site Hubbard U corrections yield spurious"},"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":"2412.16816","kind":"arxiv","version":3},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2024-12-22T01:29:22Z","cross_cats_sorted":[],"title_canon_sha256":"78c653da3f47fe53847e30392a13330fd4ccf4ef6d6c5c3e9153e55356965632","abstract_canon_sha256":"95f51d0554d230f791626b49388bc733dc9f9142576307388640f08c972c7fa0"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T11:08:14.740916Z","signature_b64":"NEsHa4FZfRz9Rje1CGGvrEbi2zkx9xUEpwVFiAZsUCqsdQqPshcu8Smf9mFDIisMWqQslYA6w0BFB7qLBZb1Bw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"cf44ef5f7c8c89a8f9c52931021fd93b9ce41b5650aecc52a337f2e8fdfa144a","last_reissued_at":"2026-07-05T11:08:14.740358Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T11:08:14.740358Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"The Interplay Between Electron Localization, Magnetic Order, and Jahn-Teller Distortion that Dictates LiMnO$_2$ Phase Stability","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Aaron D. Kaplan, Gerbrand Ceder, Kristin A. Persson, Luca Binci, Nicola Marzari, Ronald L. Kam","submitted_at":"2024-12-22T01:29:22Z","abstract_excerpt":"The development of Mn-rich cathodes for Li-ion batteries promises to alleviate supply chain bottlenecks in battery manufacturing. Challenges in Mn-rich cathodes arise from Jahn-Teller (JT) distortions of Mn$^{3+}$, Mn migration, and phase transformations to spinel-like order, which can affect the electrochemical performance. These phenomena motivate an ab initio re-examination of the thermodynamics of the LiMnO2 polymorphs. It is found that the generalized gradient approximation (GGA - PBEsol) and meta-GGA (r2SCAN) density functionals with empirical on-site Hubbard U corrections yield spurious"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2412.16816","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/2412.16816/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":"2412.16816","created_at":"2026-07-05T11:08:14.740421+00:00"},{"alias_kind":"arxiv_version","alias_value":"2412.16816v3","created_at":"2026-07-05T11:08:14.740421+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2412.16816","created_at":"2026-07-05T11:08:14.740421+00:00"},{"alias_kind":"pith_short_12","alias_value":"Z5CO6X34RSE2","created_at":"2026-07-05T11:08:14.740421+00:00"},{"alias_kind":"pith_short_16","alias_value":"Z5CO6X34RSE2R6OF","created_at":"2026-07-05T11:08:14.740421+00:00"},{"alias_kind":"pith_short_8","alias_value":"Z5CO6X34","created_at":"2026-07-05T11:08:14.740421+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/Z5CO6X34RSE2R6OFFEYQEH6ZHO","json":"https://pith.science/pith/Z5CO6X34RSE2R6OFFEYQEH6ZHO.json","graph_json":"https://pith.science/api/pith-number/Z5CO6X34RSE2R6OFFEYQEH6ZHO/graph.json","events_json":"https://pith.science/api/pith-number/Z5CO6X34RSE2R6OFFEYQEH6ZHO/events.json","paper":"https://pith.science/paper/Z5CO6X34"},"agent_actions":{"view_html":"https://pith.science/pith/Z5CO6X34RSE2R6OFFEYQEH6ZHO","download_json":"https://pith.science/pith/Z5CO6X34RSE2R6OFFEYQEH6ZHO.json","view_paper":"https://pith.science/paper/Z5CO6X34","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=2412.16816&json=true","fetch_graph":"https://pith.science/api/pith-number/Z5CO6X34RSE2R6OFFEYQEH6ZHO/graph.json","fetch_events":"https://pith.science/api/pith-number/Z5CO6X34RSE2R6OFFEYQEH6ZHO/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/Z5CO6X34RSE2R6OFFEYQEH6ZHO/action/timestamp_anchor","attest_storage":"https://pith.science/pith/Z5CO6X34RSE2R6OFFEYQEH6ZHO/action/storage_attestation","attest_author":"https://pith.science/pith/Z5CO6X34RSE2R6OFFEYQEH6ZHO/action/author_attestation","sign_citation":"https://pith.science/pith/Z5CO6X34RSE2R6OFFEYQEH6ZHO/action/citation_signature","submit_replication":"https://pith.science/pith/Z5CO6X34RSE2R6OFFEYQEH6ZHO/action/replication_record"}},"created_at":"2026-07-05T11:08:14.740421+00:00","updated_at":"2026-07-05T11:08:14.740421+00:00"}