{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2023:3VLPJBSDV45PECZDFZUTBBH556","short_pith_number":"pith:3VLPJBSD","canonical_record":{"source":{"id":"2301.11143","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2023-01-26T14:50:53Z","cross_cats_sorted":[],"title_canon_sha256":"8f02ecbb38de0fe3710006f1c3b3dedc5be9b6818a76354a1896e6d13e176740","abstract_canon_sha256":"3a65fee42419c6f0c077f5006e5ddd71417945c0da50b5a23c920d758fba3de9"},"schema_version":"1.0"},"canonical_sha256":"dd56f48643af3af20b232e693084fdef94422260845554ad4af06a5fbeaed3dd","source":{"kind":"arxiv","id":"2301.11143","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2301.11143","created_at":"2026-07-05T05:56:02Z"},{"alias_kind":"arxiv_version","alias_value":"2301.11143v2","created_at":"2026-07-05T05:56:02Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2301.11143","created_at":"2026-07-05T05:56:02Z"},{"alias_kind":"pith_short_12","alias_value":"3VLPJBSDV45P","created_at":"2026-07-05T05:56:02Z"},{"alias_kind":"pith_short_16","alias_value":"3VLPJBSDV45PECZD","created_at":"2026-07-05T05:56:02Z"},{"alias_kind":"pith_short_8","alias_value":"3VLPJBSD","created_at":"2026-07-05T05:56:02Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2023:3VLPJBSDV45PECZDFZUTBBH556","target":"record","payload":{"canonical_record":{"source":{"id":"2301.11143","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2023-01-26T14:50:53Z","cross_cats_sorted":[],"title_canon_sha256":"8f02ecbb38de0fe3710006f1c3b3dedc5be9b6818a76354a1896e6d13e176740","abstract_canon_sha256":"3a65fee42419c6f0c077f5006e5ddd71417945c0da50b5a23c920d758fba3de9"},"schema_version":"1.0"},"canonical_sha256":"dd56f48643af3af20b232e693084fdef94422260845554ad4af06a5fbeaed3dd","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T05:56:02.520409Z","signature_b64":"+Rw2BfM6LEf6UhfKyaZKtognktKeGd7GkrDJ1rxa/duKBJO2VlA1u3Dp6L4K+pcV0sVrpl/TeuCG4tsXiDsuCw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"dd56f48643af3af20b232e693084fdef94422260845554ad4af06a5fbeaed3dd","last_reissued_at":"2026-07-05T05:56:02.519973Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T05:56:02.519973Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2301.11143","source_version":2,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T05:56:02Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"OmeAckAJ6P4GdeQhOzR2VdZlbmxPcUnmJfUMJHF3sf/6ITk+Ne4Eu32VZilD8j1pHCkR74Y0+bP8lB6jtkGZAQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-07T15:24:14.987297Z"},"content_sha256":"4aa50923edb8bc5af7f678981c609e089f2aff5cec5251d9bfd9ffbf04f6b2b7","schema_version":"1.0","event_id":"sha256:4aa50923edb8bc5af7f678981c609e089f2aff5cec5251d9bfd9ffbf04f6b2b7"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2023:3VLPJBSDV45PECZDFZUTBBH556","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Unraveling the effects of inter-site Hubbard interactions in spinel Li-ion cathode materials","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Iurii Timrov, Michele Kotiuga, Nicola Marzari","submitted_at":"2023-01-26T14:50:53Z","abstract_excerpt":"Accurate first-principles predictions of the structural, electronic, magnetic, and electrochemical properties of cathode materials can be key in the design of novel efficient Li-ion batteries. Spinel-type cathode materials Li$_x$Mn$_2$O$_4$ and Li$_x$Mn$_{1.5}$Ni$_{0.5}$O$_4$ are promising candidates for Li-ion battery technologies, but they present serious challenges when it comes to their first-principles modeling. Here, we use density-functional theory with extended Hubbard functionals - DFT+$U$+$V$ with on-site $U$ and inter-site $V$ Hubbard interactions - to study the properties of these "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2301.11143","kind":"arxiv","version":2},"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/2301.11143/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":"2026-07-05T05:56:02Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"rshhxjiCLCv80PzkDB1i+7jxtjORdSHZCZ0xVBTghWdd1Aqmk1dG4jK3K2LI03IMekf9/jSupBia47u66R56BQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-07T15:24:14.987681Z"},"content_sha256":"1ff967ca4de0027d727e97cc947db8d3b068ea05e8f58455cd32f18f3568ca08","schema_version":"1.0","event_id":"sha256:1ff967ca4de0027d727e97cc947db8d3b068ea05e8f58455cd32f18f3568ca08"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/3VLPJBSDV45PECZDFZUTBBH556/bundle.json","state_url":"https://pith.science/pith/3VLPJBSDV45PECZDFZUTBBH556/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/3VLPJBSDV45PECZDFZUTBBH556/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":"2026-07-07T15:24:14Z","links":{"resolver":"https://pith.science/pith/3VLPJBSDV45PECZDFZUTBBH556","bundle":"https://pith.science/pith/3VLPJBSDV45PECZDFZUTBBH556/bundle.json","state":"https://pith.science/pith/3VLPJBSDV45PECZDFZUTBBH556/state.json","well_known_bundle":"https://pith.science/.well-known/pith/3VLPJBSDV45PECZDFZUTBBH556/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2023:3VLPJBSDV45PECZDFZUTBBH556","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":"3a65fee42419c6f0c077f5006e5ddd71417945c0da50b5a23c920d758fba3de9","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2023-01-26T14:50:53Z","title_canon_sha256":"8f02ecbb38de0fe3710006f1c3b3dedc5be9b6818a76354a1896e6d13e176740"},"schema_version":"1.0","source":{"id":"2301.11143","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2301.11143","created_at":"2026-07-05T05:56:02Z"},{"alias_kind":"arxiv_version","alias_value":"2301.11143v2","created_at":"2026-07-05T05:56:02Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2301.11143","created_at":"2026-07-05T05:56:02Z"},{"alias_kind":"pith_short_12","alias_value":"3VLPJBSDV45P","created_at":"2026-07-05T05:56:02Z"},{"alias_kind":"pith_short_16","alias_value":"3VLPJBSDV45PECZD","created_at":"2026-07-05T05:56:02Z"},{"alias_kind":"pith_short_8","alias_value":"3VLPJBSD","created_at":"2026-07-05T05:56:02Z"}],"graph_snapshots":[{"event_id":"sha256:1ff967ca4de0027d727e97cc947db8d3b068ea05e8f58455cd32f18f3568ca08","target":"graph","created_at":"2026-07-05T05:56:02Z","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/2301.11143/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Accurate first-principles predictions of the structural, electronic, magnetic, and electrochemical properties of cathode materials can be key in the design of novel efficient Li-ion batteries. Spinel-type cathode materials Li$_x$Mn$_2$O$_4$ and Li$_x$Mn$_{1.5}$Ni$_{0.5}$O$_4$ are promising candidates for Li-ion battery technologies, but they present serious challenges when it comes to their first-principles modeling. Here, we use density-functional theory with extended Hubbard functionals - DFT+$U$+$V$ with on-site $U$ and inter-site $V$ Hubbard interactions - to study the properties of these ","authors_text":"Iurii Timrov, Michele Kotiuga, Nicola Marzari","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2023-01-26T14:50:53Z","title":"Unraveling the effects of inter-site Hubbard interactions in spinel Li-ion cathode materials"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2301.11143","kind":"arxiv","version":2},"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":"sha256:4aa50923edb8bc5af7f678981c609e089f2aff5cec5251d9bfd9ffbf04f6b2b7","target":"record","created_at":"2026-07-05T05:56:02Z","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":"3a65fee42419c6f0c077f5006e5ddd71417945c0da50b5a23c920d758fba3de9","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2023-01-26T14:50:53Z","title_canon_sha256":"8f02ecbb38de0fe3710006f1c3b3dedc5be9b6818a76354a1896e6d13e176740"},"schema_version":"1.0","source":{"id":"2301.11143","kind":"arxiv","version":2}},"canonical_sha256":"dd56f48643af3af20b232e693084fdef94422260845554ad4af06a5fbeaed3dd","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"dd56f48643af3af20b232e693084fdef94422260845554ad4af06a5fbeaed3dd","first_computed_at":"2026-07-05T05:56:02.519973Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T05:56:02.519973Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"+Rw2BfM6LEf6UhfKyaZKtognktKeGd7GkrDJ1rxa/duKBJO2VlA1u3Dp6L4K+pcV0sVrpl/TeuCG4tsXiDsuCw==","signature_status":"signed_v1","signed_at":"2026-07-05T05:56:02.520409Z","signed_message":"canonical_sha256_bytes"},"source_id":"2301.11143","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:4aa50923edb8bc5af7f678981c609e089f2aff5cec5251d9bfd9ffbf04f6b2b7","sha256:1ff967ca4de0027d727e97cc947db8d3b068ea05e8f58455cd32f18f3568ca08"],"state_sha256":"feed021dbc15edb4d3cab1546983c35fb61fb354e27ca74f652ebfda8b5bcfaf"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"31a86Hv8pJKEbgw2KYjbpRtZi8RBPVGC8S+/cP688gJNV/bpHneL1b+NA8GVz04/RKt+KOSG/4n/qjxG5bkZCQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-07-07T15:24:14.989691Z","bundle_sha256":"7fe9f203dec501e3b22a2d9d5871887ae5e5a985c5102cd253121aa6e4d59d6f"}}