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In contrast, monolayer alloys of transition metal dichalcogenides (TMDs) MX2 (M = Mo, W; X = S, Se) always have negative {\\Delta}H, suggesting atomic ordering, which is, however, not yet experimentally observed. Using first-principles calculations, we find that the negative {\\Delta}H of cation-mixed TMD alloys results from the charge transfer from weak Mo-X to nearest strong W-X bonds and the negative {\\Delta}H of anion-mixed TMD alloys comes fro"},"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":"1710.05064","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2017-10-13T20:02:14Z","cross_cats_sorted":[],"title_canon_sha256":"b761742170e77b48953ec6c0adb3f4b87e2882ab25dba02760fc13674ac69940","abstract_canon_sha256":"88e0c90c2af54bd37f44669cea1eb03d8c6f8342f45050fefc67a340352c17b1"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T00:32:54.515896Z","signature_b64":"gBx/Hy1Qp/sFqVDoYpZOldJ7Xg3grGaG/LLysW+1EB3SqGoYfH2Po0CqmsKpI5QtujmcLcTNlHBwnQHGmoJ7BQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"be0f9f7ca6711ca9035eef3f7797222305dd6f6b501e810663177f4af93e4c93","last_reissued_at":"2026-05-18T00:32:54.515182Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T00:32:54.515182Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Unusual negative formation enthalpies and atomic ordering in isovalent alloys of transition metal dichalcogenide monolayers","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Boris I. 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