{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2018:46CS7VTIGJAIFVI2AQ6BYDR2VJ","short_pith_number":"pith:46CS7VTI","canonical_record":{"source":{"id":"1801.08013","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2018-01-24T15:09:08Z","cross_cats_sorted":["cond-mat.str-el","physics.chem-ph","physics.comp-ph"],"title_canon_sha256":"48bad6ec62dabade4f92a2dbf00a557fd1a1e13aaace430d6e06fa34574af2ed","abstract_canon_sha256":"c9e3a13f6dedb658bd873f9b81cb0785fbca6ab927baaea775b3feacc2ed401b"},"schema_version":"1.0"},"canonical_sha256":"e7852fd668324082d51a043c1c0e3aaa4c01e64ac9ad3891f2515918cf58365d","source":{"kind":"arxiv","id":"1801.08013","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1801.08013","created_at":"2026-05-18T00:21:06Z"},{"alias_kind":"arxiv_version","alias_value":"1801.08013v1","created_at":"2026-05-18T00:21:06Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1801.08013","created_at":"2026-05-18T00:21:06Z"},{"alias_kind":"pith_short_12","alias_value":"46CS7VTIGJAI","created_at":"2026-05-18T12:32:05Z"},{"alias_kind":"pith_short_16","alias_value":"46CS7VTIGJAIFVI2","created_at":"2026-05-18T12:32:05Z"},{"alias_kind":"pith_short_8","alias_value":"46CS7VTI","created_at":"2026-05-18T12:32:05Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2018:46CS7VTIGJAIFVI2AQ6BYDR2VJ","target":"record","payload":{"canonical_record":{"source":{"id":"1801.08013","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2018-01-24T15:09:08Z","cross_cats_sorted":["cond-mat.str-el","physics.chem-ph","physics.comp-ph"],"title_canon_sha256":"48bad6ec62dabade4f92a2dbf00a557fd1a1e13aaace430d6e06fa34574af2ed","abstract_canon_sha256":"c9e3a13f6dedb658bd873f9b81cb0785fbca6ab927baaea775b3feacc2ed401b"},"schema_version":"1.0"},"canonical_sha256":"e7852fd668324082d51a043c1c0e3aaa4c01e64ac9ad3891f2515918cf58365d","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T00:21:06.441635Z","signature_b64":"SURndRhfDirkvLfdgBHDDcuc4tuQ17JyY20Bs6uDqzAZSlnNgVm5SuSwDm8JyyEDnpVaZKA4LDO6sgHMGG/LCQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"e7852fd668324082d51a043c1c0e3aaa4c01e64ac9ad3891f2515918cf58365d","last_reissued_at":"2026-05-18T00:21:06.441192Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T00:21:06.441192Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1801.08013","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":"2026-05-18T00:21:06Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"iGu1wayU+7ZOvJxxJfYbfiPAkk+yMvyGgpeeCERCJ0fBTon7wAN4sk4w4BhaEYRR5J0lS5rnAFtKvc7qTSX0Dg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-26T10:59:17.772897Z"},"content_sha256":"108ad407a1cb7a506ae413607012f5740ddbbd823f68c77ef375f66e62b95359","schema_version":"1.0","event_id":"sha256:108ad407a1cb7a506ae413607012f5740ddbbd823f68c77ef375f66e62b95359"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2018:46CS7VTIGJAIFVI2AQ6BYDR2VJ","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"$Ab-initio$ investigation of the thermodynamics of cation distribution and the electronic and magnetic structures in the LiMn$_2$O$_4$ spinel","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.str-el","physics.chem-ph","physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"2), (2) University of Limpopo, 3) ((1) Cardiff University, (3) Utrecht University, David Santos-Carballal (1, Nora H. de Leeuw (2, Phuti E. Ngoepe (2), South Africa, the Netherlands), United Kingdom","submitted_at":"2018-01-24T15:09:08Z","abstract_excerpt":"The spinel-structured lithium manganese oxide (LiMn$_2$O$_4$) is a material currently used as cathode for secondary lithium-ion batteries, but whose properties are not yet fully understood. Here, we report a computational investigation of the inversion thermodynamics and electronic behaviour of LiMn$_2$O$_4$ derived from spin-polarised density functional theory calculations with a Hubbard Hamiltonian and long-range dispersion corrections (DFT+$U-$D3). Based on the analysis of the configurational free energy, we have elucidated a partially inverse equilibrium cation distribution for the LiMn$_2"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1801.08013","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":"2026-05-18T00:21:06Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"yBOt0Z2lffnSMoeJSp0/Y5yTCI03WZvH7lD1a7XzHNACcdp3KbYXFAMi+IQc1Kgy9PRc2I6SrPs3AP1QPOLgCw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-26T10:59:17.773644Z"},"content_sha256":"dd8cf70c8f601dc881c10a60d160745c62211f595cb461d785cc9cee4e08f1d1","schema_version":"1.0","event_id":"sha256:dd8cf70c8f601dc881c10a60d160745c62211f595cb461d785cc9cee4e08f1d1"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/46CS7VTIGJAIFVI2AQ6BYDR2VJ/bundle.json","state_url":"https://pith.science/pith/46CS7VTIGJAIFVI2AQ6BYDR2VJ/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/46CS7VTIGJAIFVI2AQ6BYDR2VJ/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":"2026-05-26T10:59:17Z","links":{"resolver":"https://pith.science/pith/46CS7VTIGJAIFVI2AQ6BYDR2VJ","bundle":"https://pith.science/pith/46CS7VTIGJAIFVI2AQ6BYDR2VJ/bundle.json","state":"https://pith.science/pith/46CS7VTIGJAIFVI2AQ6BYDR2VJ/state.json","well_known_bundle":"https://pith.science/.well-known/pith/46CS7VTIGJAIFVI2AQ6BYDR2VJ/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2018:46CS7VTIGJAIFVI2AQ6BYDR2VJ","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":"c9e3a13f6dedb658bd873f9b81cb0785fbca6ab927baaea775b3feacc2ed401b","cross_cats_sorted":["cond-mat.str-el","physics.chem-ph","physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2018-01-24T15:09:08Z","title_canon_sha256":"48bad6ec62dabade4f92a2dbf00a557fd1a1e13aaace430d6e06fa34574af2ed"},"schema_version":"1.0","source":{"id":"1801.08013","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1801.08013","created_at":"2026-05-18T00:21:06Z"},{"alias_kind":"arxiv_version","alias_value":"1801.08013v1","created_at":"2026-05-18T00:21:06Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1801.08013","created_at":"2026-05-18T00:21:06Z"},{"alias_kind":"pith_short_12","alias_value":"46CS7VTIGJAI","created_at":"2026-05-18T12:32:05Z"},{"alias_kind":"pith_short_16","alias_value":"46CS7VTIGJAIFVI2","created_at":"2026-05-18T12:32:05Z"},{"alias_kind":"pith_short_8","alias_value":"46CS7VTI","created_at":"2026-05-18T12:32:05Z"}],"graph_snapshots":[{"event_id":"sha256:dd8cf70c8f601dc881c10a60d160745c62211f595cb461d785cc9cee4e08f1d1","target":"graph","created_at":"2026-05-18T00:21:06Z","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"},"paper":{"abstract_excerpt":"The spinel-structured lithium manganese oxide (LiMn$_2$O$_4$) is a material currently used as cathode for secondary lithium-ion batteries, but whose properties are not yet fully understood. Here, we report a computational investigation of the inversion thermodynamics and electronic behaviour of LiMn$_2$O$_4$ derived from spin-polarised density functional theory calculations with a Hubbard Hamiltonian and long-range dispersion corrections (DFT+$U-$D3). Based on the analysis of the configurational free energy, we have elucidated a partially inverse equilibrium cation distribution for the LiMn$_2","authors_text":"2), (2) University of Limpopo, 3) ((1) Cardiff University, (3) Utrecht University, David Santos-Carballal (1, Nora H. de Leeuw (2, Phuti E. Ngoepe (2), South Africa, the Netherlands), United Kingdom","cross_cats":["cond-mat.str-el","physics.chem-ph","physics.comp-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2018-01-24T15:09:08Z","title":"$Ab-initio$ investigation of the thermodynamics of cation distribution and the electronic and magnetic structures in the LiMn$_2$O$_4$ spinel"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1801.08013","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":"sha256:108ad407a1cb7a506ae413607012f5740ddbbd823f68c77ef375f66e62b95359","target":"record","created_at":"2026-05-18T00:21:06Z","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":"c9e3a13f6dedb658bd873f9b81cb0785fbca6ab927baaea775b3feacc2ed401b","cross_cats_sorted":["cond-mat.str-el","physics.chem-ph","physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2018-01-24T15:09:08Z","title_canon_sha256":"48bad6ec62dabade4f92a2dbf00a557fd1a1e13aaace430d6e06fa34574af2ed"},"schema_version":"1.0","source":{"id":"1801.08013","kind":"arxiv","version":1}},"canonical_sha256":"e7852fd668324082d51a043c1c0e3aaa4c01e64ac9ad3891f2515918cf58365d","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"e7852fd668324082d51a043c1c0e3aaa4c01e64ac9ad3891f2515918cf58365d","first_computed_at":"2026-05-18T00:21:06.441192Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T00:21:06.441192Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"SURndRhfDirkvLfdgBHDDcuc4tuQ17JyY20Bs6uDqzAZSlnNgVm5SuSwDm8JyyEDnpVaZKA4LDO6sgHMGG/LCQ==","signature_status":"signed_v1","signed_at":"2026-05-18T00:21:06.441635Z","signed_message":"canonical_sha256_bytes"},"source_id":"1801.08013","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:108ad407a1cb7a506ae413607012f5740ddbbd823f68c77ef375f66e62b95359","sha256:dd8cf70c8f601dc881c10a60d160745c62211f595cb461d785cc9cee4e08f1d1"],"state_sha256":"0631384eef45343c67475e45db0fbeaa9fa4c80d9a12eda734d52248f28eef97"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"oKBczAGpplTp4Pp/lxJgfow2sIPAylbKwMrQa10hnk7bR57UO7hd4nkagXm1N/0I7MUAOFTvM5AAsEKup12GBw==","signed_message":"bundle_sha256_bytes","signed_at":"2026-05-26T10:59:17.777797Z","bundle_sha256":"99206912f3f1a62086282bee926588f3b6d8a8624c69955a37dda9a8a444e876"}}