{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2026:HP5GNTWVODEDJELXJ63LSWDT6L","short_pith_number":"pith:HP5GNTWV","canonical_record":{"source":{"id":"2605.24334","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-05-23T01:31:39Z","cross_cats_sorted":[],"title_canon_sha256":"3ce0b22715df2893a84fb22debc5dbc825cd57ce844f139c1435a8bcf6c756f4","abstract_canon_sha256":"06dcc7253446d42ab2b8a018c03a1e8fba548f2afbdcfa8e6ea32f3729f4f8ba"},"schema_version":"1.0"},"canonical_sha256":"3bfa66ced570c83491774fb6b95873f2c1a6e003d77c50d48a9e85e1edb390f3","source":{"kind":"arxiv","id":"2605.24334","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2605.24334","created_at":"2026-05-26T01:03:00Z"},{"alias_kind":"arxiv_version","alias_value":"2605.24334v1","created_at":"2026-05-26T01:03:00Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2605.24334","created_at":"2026-05-26T01:03:00Z"},{"alias_kind":"pith_short_12","alias_value":"HP5GNTWVODED","created_at":"2026-05-26T01:03:00Z"},{"alias_kind":"pith_short_16","alias_value":"HP5GNTWVODEDJELX","created_at":"2026-05-26T01:03:00Z"},{"alias_kind":"pith_short_8","alias_value":"HP5GNTWV","created_at":"2026-05-26T01:03:00Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2026:HP5GNTWVODEDJELXJ63LSWDT6L","target":"record","payload":{"canonical_record":{"source":{"id":"2605.24334","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-05-23T01:31:39Z","cross_cats_sorted":[],"title_canon_sha256":"3ce0b22715df2893a84fb22debc5dbc825cd57ce844f139c1435a8bcf6c756f4","abstract_canon_sha256":"06dcc7253446d42ab2b8a018c03a1e8fba548f2afbdcfa8e6ea32f3729f4f8ba"},"schema_version":"1.0"},"canonical_sha256":"3bfa66ced570c83491774fb6b95873f2c1a6e003d77c50d48a9e85e1edb390f3","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-26T01:03:00.517776Z","signature_b64":"Wu0Fi4vJfTfgvu79exW/2gnQ+YcVfZzagxVgxiSye+4DmHhfF28EwDXdgaV2XCIyyuPEbGyET+oJXyuimIMyDA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"3bfa66ced570c83491774fb6b95873f2c1a6e003d77c50d48a9e85e1edb390f3","last_reissued_at":"2026-05-26T01:03:00.517008Z","signature_status":"signed_v1","first_computed_at":"2026-05-26T01:03:00.517008Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2605.24334","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":"2026-05-26T01:03:00Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"Q76KX75X+ezAJfl0ojO4Em1kzvAQhLjhA9p4t5B1buohRF8ArKgzr004Sr+K10bP2sl+7qjyF2z6FV0Fd+jUBA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-30T12:05:24.070120Z"},"content_sha256":"354ad94923e9a9b1e6e2d2325c798277b9ae00bc38308ff4a8cdac6463c75a90","schema_version":"1.0","event_id":"sha256:354ad94923e9a9b1e6e2d2325c798277b9ae00bc38308ff4a8cdac6463c75a90"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2026:HP5GNTWVODEDJELXJ63LSWDT6L","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Systematic comparison of approximations and functionals in first-principle calculations of aluminum-based III-V ferroelectric nitrides","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Alejandro Mercado Tejerina, Andriy Zakutayev, Charles Paillard, Keisuke Yazawa, Laurent Bellaiche, Peng Chen","submitted_at":"2026-05-23T01:31:39Z","abstract_excerpt":"We revisit first-principles predictions of structural, ferroelectric, and electronic properties in aluminum-based III-V nitride alloys, focusing on Al1-xScxN and Al1-xBxN. Using density functional theory within a unified 48-atom supercell framework, we systematically assess the role of chemical disorder and exchange-correlation approximations by comparing the virtual crystal approximation (VCA) and special quasirandom structures (SQS), as well as PBE, PBESol, SCAN, and SCAN+rVV10 functionals. We demonstrate that, even amongst the similar PBE and PBESol functionals, big quantitative and qualita"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2605.24334","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/2605.24334/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":"2026-05-26T01:03:00Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"WZxf35ImgJvYjcYR/4r2+pyFh2SuMXFFWTIQEeV95OHgdnB1dGHTJifuiS6gNegEEDFCl2KwPT+d+m2wl4KoBA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-30T12:05:24.070524Z"},"content_sha256":"a3b0fd2bd464dc8c6c1ca9484939e72689ecbb2d5daff59a0b78f289ced653f0","schema_version":"1.0","event_id":"sha256:a3b0fd2bd464dc8c6c1ca9484939e72689ecbb2d5daff59a0b78f289ced653f0"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/HP5GNTWVODEDJELXJ63LSWDT6L/bundle.json","state_url":"https://pith.science/pith/HP5GNTWVODEDJELXJ63LSWDT6L/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/HP5GNTWVODEDJELXJ63LSWDT6L/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":"2026-05-30T12:05:24Z","links":{"resolver":"https://pith.science/pith/HP5GNTWVODEDJELXJ63LSWDT6L","bundle":"https://pith.science/pith/HP5GNTWVODEDJELXJ63LSWDT6L/bundle.json","state":"https://pith.science/pith/HP5GNTWVODEDJELXJ63LSWDT6L/state.json","well_known_bundle":"https://pith.science/.well-known/pith/HP5GNTWVODEDJELXJ63LSWDT6L/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2026:HP5GNTWVODEDJELXJ63LSWDT6L","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":"06dcc7253446d42ab2b8a018c03a1e8fba548f2afbdcfa8e6ea32f3729f4f8ba","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-05-23T01:31:39Z","title_canon_sha256":"3ce0b22715df2893a84fb22debc5dbc825cd57ce844f139c1435a8bcf6c756f4"},"schema_version":"1.0","source":{"id":"2605.24334","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2605.24334","created_at":"2026-05-26T01:03:00Z"},{"alias_kind":"arxiv_version","alias_value":"2605.24334v1","created_at":"2026-05-26T01:03:00Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2605.24334","created_at":"2026-05-26T01:03:00Z"},{"alias_kind":"pith_short_12","alias_value":"HP5GNTWVODED","created_at":"2026-05-26T01:03:00Z"},{"alias_kind":"pith_short_16","alias_value":"HP5GNTWVODEDJELX","created_at":"2026-05-26T01:03:00Z"},{"alias_kind":"pith_short_8","alias_value":"HP5GNTWV","created_at":"2026-05-26T01:03:00Z"}],"graph_snapshots":[{"event_id":"sha256:a3b0fd2bd464dc8c6c1ca9484939e72689ecbb2d5daff59a0b78f289ced653f0","target":"graph","created_at":"2026-05-26T01:03:00Z","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/2605.24334/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"We revisit first-principles predictions of structural, ferroelectric, and electronic properties in aluminum-based III-V nitride alloys, focusing on Al1-xScxN and Al1-xBxN. Using density functional theory within a unified 48-atom supercell framework, we systematically assess the role of chemical disorder and exchange-correlation approximations by comparing the virtual crystal approximation (VCA) and special quasirandom structures (SQS), as well as PBE, PBESol, SCAN, and SCAN+rVV10 functionals. We demonstrate that, even amongst the similar PBE and PBESol functionals, big quantitative and qualita","authors_text":"Alejandro Mercado Tejerina, Andriy Zakutayev, Charles Paillard, Keisuke Yazawa, Laurent Bellaiche, Peng Chen","cross_cats":[],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-05-23T01:31:39Z","title":"Systematic comparison of approximations and functionals in first-principle calculations of aluminum-based III-V ferroelectric nitrides"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2605.24334","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":"sha256:354ad94923e9a9b1e6e2d2325c798277b9ae00bc38308ff4a8cdac6463c75a90","target":"record","created_at":"2026-05-26T01:03:00Z","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":"06dcc7253446d42ab2b8a018c03a1e8fba548f2afbdcfa8e6ea32f3729f4f8ba","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-05-23T01:31:39Z","title_canon_sha256":"3ce0b22715df2893a84fb22debc5dbc825cd57ce844f139c1435a8bcf6c756f4"},"schema_version":"1.0","source":{"id":"2605.24334","kind":"arxiv","version":1}},"canonical_sha256":"3bfa66ced570c83491774fb6b95873f2c1a6e003d77c50d48a9e85e1edb390f3","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"3bfa66ced570c83491774fb6b95873f2c1a6e003d77c50d48a9e85e1edb390f3","first_computed_at":"2026-05-26T01:03:00.517008Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-26T01:03:00.517008Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"Wu0Fi4vJfTfgvu79exW/2gnQ+YcVfZzagxVgxiSye+4DmHhfF28EwDXdgaV2XCIyyuPEbGyET+oJXyuimIMyDA==","signature_status":"signed_v1","signed_at":"2026-05-26T01:03:00.517776Z","signed_message":"canonical_sha256_bytes"},"source_id":"2605.24334","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:354ad94923e9a9b1e6e2d2325c798277b9ae00bc38308ff4a8cdac6463c75a90","sha256:a3b0fd2bd464dc8c6c1ca9484939e72689ecbb2d5daff59a0b78f289ced653f0"],"state_sha256":"7569cf0b232afa270f0dfb137ea31d9191496924dbe5265dff01d6048175f1ed"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"MWEUqehYBnDGdHDcvb6SWB+wTEXbwiU0vZ/6lkQ/KVc+8GGJQKgBeCfAxlbf1SKal8grHFG5/HDq1zMIRRFyCQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-05-30T12:05:24.072737Z","bundle_sha256":"6b9c9b5d78b27f681dc000f2b91f633e95ff972e3badf0d80e721f28feaf009f"}}