[ { "@id": "https://w3id.org/np/RAyqMBkCSXrfjpINofwvVL02Lt4zSvG71ph5TQi6xJtBg/Head", "@graph": [ { "@id": "https://w3id.org/np/RAyqMBkCSXrfjpINofwvVL02Lt4zSvG71ph5TQi6xJtBg", "http://www.nanopub.org/nschema#hasAssertion": [ { "@id": "https://w3id.org/np/RAyqMBkCSXrfjpINofwvVL02Lt4zSvG71ph5TQi6xJtBg/assertion" } ], "http://www.nanopub.org/nschema#hasProvenance": [ { "@id": "https://w3id.org/np/RAyqMBkCSXrfjpINofwvVL02Lt4zSvG71ph5TQi6xJtBg/provenance" } ], "http://www.nanopub.org/nschema#hasPublicationInfo": [ { "@id": "https://w3id.org/np/RAyqMBkCSXrfjpINofwvVL02Lt4zSvG71ph5TQi6xJtBg/pubinfo" } ], "@type": [ "http://www.nanopub.org/nschema#Nanopublication" ] } ] }, { "@id": "https://w3id.org/np/RAyqMBkCSXrfjpINofwvVL02Lt4zSvG71ph5TQi6xJtBg/provenance", "@graph": [ { "@id": "https://w3id.org/np/RAyqMBkCSXrfjpINofwvVL02Lt4zSvG71ph5TQi6xJtBg/assertion", "http://www.w3.org/ns/prov#wasAttributedTo": [ { "@id": "https://orcid.org/0000-0002-1297-3104" } ] } ] }, { "@id": "https://w3id.org/np/RAyqMBkCSXrfjpINofwvVL02Lt4zSvG71ph5TQi6xJtBg/pubinfo", "@graph": [ { "@id": "https://orcid.org/0000-0002-1297-3104", "http://xmlns.com/foaf/0.1/name": [ { "@value": "Anastasios Papadiamantis" } ] }, { "@id": "https://w3id.org/np/RAyqMBkCSXrfjpINofwvVL02Lt4zSvG71ph5TQi6xJtBg", "http://purl.org/dc/terms/created": [ { "@value": "2025-07-09T10:07:49.746Z", "@type": "http://www.w3.org/2001/XMLSchema#dateTime" } ], "http://purl.org/dc/terms/creator": [ { "@id": "https://orcid.org/0000-0002-1297-3104" } ], "http://purl.org/dc/terms/license": [ { "@id": "https://creativecommons.org/licenses/by/4.0/" } ], "http://purl.org/nanopub/x/wasCreatedAt": [ { "@id": "https://nanodash.knowledgepixels.com/" } ], "https://w3id.org/np/o/ntemplate/wasCreatedFromProvenanceTemplate": [ { "@id": "https://w3id.org/np/RA7lSq6MuK_TIC6JMSHvLtee3lpLoZDOqLJCLXevnrPoU" } ], "https://w3id.org/np/o/ntemplate/wasCreatedFromPubinfoTemplate": [ { "@id": "https://w3id.org/np/RA0J4vUn_dekg-U1kK3AOEt02p9mT2WO03uGxLDec1jLw" }, { "@id": "https://w3id.org/np/RAukAcWHRDlkqxk7H2XNSegc1WnHI569INvNr-xdptDGI" } ], "https://w3id.org/np/o/ntemplate/wasCreatedFromTemplate": [ { "@id": "http://purl.org/np/RAFu2BNmgHrjOTJ8SKRnKaRp-VP8AOOb7xX88ob0DZRsU" } ] }, { "@id": "https://w3id.org/np/RAyqMBkCSXrfjpINofwvVL02Lt4zSvG71ph5TQi6xJtBg/sig", "http://purl.org/nanopub/x/hasAlgorithm": [ { "@value": "RSA" } ], "http://purl.org/nanopub/x/hasPublicKey": [ { "@value": "MIGfMA0GCSqGSIb3DQEBAQUAA4GNADCBiQKBgQDLrgIs0zCX11YIad1vf4iKrxmu/l3phA4ES5BixalXnpd5LD/znJ3GlB95mZ/KOrhGhBZyj39QaZVpQQuPTsqmigo4blW6FtTc0iWkFSNEj6dyWeavF9nJ0cSr7k6KEx3i8ue+O53k2lmF/UzG/w0cOSV71T3qVBFPupy5WMCTwwIDAQAB" } ], "http://purl.org/nanopub/x/hasSignature": [ { "@value": "FyPtaTkcClynZzYScGtoUiMmN9AfeoZmHQgAGw6YBJdLt4SMBFIemQSb+JN1TERFZvZxS7iowkmkhTHaSKkckvpkbuFvW2uYFUIu7pehLE9zG24Kl6gSg7lmfXUpwchGKQ39n8S4O/o2tRO6VF8LUKy4TVM+uNrtlUnUmYX6jKo=" } ], "http://purl.org/nanopub/x/hasSignatureTarget": [ { "@id": "https://w3id.org/np/RAyqMBkCSXrfjpINofwvVL02Lt4zSvG71ph5TQi6xJtBg" } ], "http://purl.org/nanopub/x/signedBy": [ { "@id": "https://orcid.org/0000-0002-1297-3104" } ] } ] }, { "@id": "https://w3id.org/np/RAyqMBkCSXrfjpINofwvVL02Lt4zSvG71ph5TQi6xJtBg/assertion", "@graph": [ { "@id": "https://w3id.org/np/RA-ppmwaIvmkE87DraC4zjMIXPKE1RUJXebTtgFNYquVs", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D43: The average CNP (3Ang) of all atoms" } ] }, { "@id": "https://w3id.org/np/RA2unsFMz8O4PrY-G9dNrijH_DDF6TA6NloVZ9ruwM9V4", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D12: The average difference of the coordination parameter between core and shell atoms" } ] }, { "@id": "https://w3id.org/np/RA3-SI8PywT7QuRlwvwkC_fnQhMOl4byvamwp80JdUokw", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D49: The average first hex parameter of the core atoms" } ] }, { "@id": "https://w3id.org/np/RA3QtD6DKmtFSRVA6yen77mQH0f49zH1nta2dvuRDVtR0", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D48: The average first hex parameter of all atoms" } ] }, { "@id": "https://w3id.org/np/RA4zaHNJiRcys_koWQE-9dyBFnOpNRHIDVJkoURpJ5A9I", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D46: The average difference of the CNP (3Ang) between core and shell atoms" } ] }, { "@id": "https://w3id.org/np/RA6HwAYTU7iTYkDbBQ1zQ0UmszxZyHaK05jmlpmtW6FDo", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D53: The average second hex parameter of the shell atoms" } ] }, { "@id": "https://w3id.org/np/RA6_qfx64en-3tJNPOJmAq8-aL_pbS0XN81MWBKU0Lwew", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D14: The average coordination parameter (3Ang) of all atoms" } ] }, { "@id": "https://w3id.org/np/RA80it3lzc2R6foQ0QQKFmKvX-Bn2-HTtRLq7HGg_-mIc", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D3: Log10 of all atoms in the surface" } ] }, { "@id": "https://w3id.org/np/RA886L8pTPqloOCIt4GRzjzFu72SupV6vw-kNzVIR3QJQ", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D50: The average first hex parameter of the shell atoms" } ] }, { "@id": "https://w3id.org/np/RA93md1tJFiyb0kf5JuQeEq4F4JkLET8jDCCJAiTuf2_4", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D42: Lattice energy of bulk material / Lattice energy of NP" } ] }, { "@id": "https://w3id.org/np/RA9YGP_KSRTS-8jjWPQ2D768NHHogpeVXffWOc8l4EGNc", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D7: The average difference of the potential energy between core and shell atoms in eV" } ] }, { "@id": "https://w3id.org/np/RAAy9ttOrOpNMgKweMpujHJ5N8f83zt6Djrd4ZnwqtNFI", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D13: The average ratio of the coordination parameter between core and shell atoms" } ] }, { "@id": "https://w3id.org/np/RAHKRIv4iTFgf2BA82_c8w5Mrg1Dz-Kl0EvbmZ_7b-2hQ", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D26: The average coordination parameter (5Ang) of the shell atoms" } ] }, { "@id": "https://w3id.org/np/RAIHmlFDWXBzKWZLta6D3fbTJ52EYB-k63NV7g-1eTId0", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D33: The average ratio of the coordination parameter (6Ang) between core and shell atoms" } ] }, { "@id": "https://w3id.org/np/RALKaRptbPXVEUvggAasMQjpkr7l6TeEpK8NmxZNnj9hU", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D11: The average coordination parameter of the shell atoms" } ] }, { "@id": "https://w3id.org/np/RALWLPe6jZgvYhWmnKoNym2QrvirbKZHoClVAEcIhmDhs", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D10: The average coordination parameter of the core atoms" } ] }, { "@id": "https://w3id.org/np/RAMl3XzSXnTi7p81SP8BsVtWVpuIM4l9vM7gPo3bHxX98", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D41: Lattice energy of NP divided by the NP volume in eV/A^3" } ] }, { "@id": "https://w3id.org/np/RANVAI1XlXZv9Q7CwieHkL6wDQPjafVNdlZW0fN25FTTw", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D20: The average coordination parameter (4Ang) of the core atoms" } ] }, { "@id": "https://w3id.org/np/RANWO6udzhu8WiyfHKeUu1rxQLGSEmWkfYCTMfR-wHEwA", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D16: The average coordination parameter (3Ang) of the shell atoms" } ] }, { "@id": "https://w3id.org/np/RANYli26qX7mQnHBMahlqv28ZVfj7_5-QTxmxXucKa9Pg", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D36: The volume of the NP in A^3" } ] }, { "@id": "https://w3id.org/np/RAQRG9oGkhpTcYflbqlAPutz5t-FrOPHJfuNIOug_Ckj8", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D45: The average CNP (3Ang) of of the shell atoms" } ] }, { "@id": "https://w3id.org/np/RAQUhVbr-KKTRUhcjjt7FXQlKjhPcTiLvghVMgEx_8NQw", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D51: The average second hex parameter of all atoms" } ] }, { "@id": "https://w3id.org/np/RAS4kEgtZmoNeZ6Suf7Bl6SBu8o9LBycwFRtYYUFCEHVE", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D24: The average coordination parameter (5Ang) of all atoms" } ] }, { "@id": "https://w3id.org/np/RASzJm1-jSJ2LaSYTNVx9ViXAF2e-0_0FzPnViW4r40e4", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D9: The average coordination parameter of all atoms" } ] }, { "@id": "https://w3id.org/np/RAT2XXh1RfydZv1zV5x8ZLcKUXb1rY5RMEO2GFR-gh_gQ", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D31: The average coordination parameter (6Ang) of the shell atoms" } ] }, { "@id": "https://w3id.org/np/RAUH0XpR9IeLGhn4AFCVHPXR7lzsMGImyNmO6ZhlZJzWQ", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D21: The average coordination parameter (4Ang) of the shell atoms" } ] }, { "@id": "https://w3id.org/np/RAUc3ADjspOGllxBEJbDsMToi4897PEH-wmAvB-rYGpc8", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D18: The average ratio of the coordination parameter (3Ang) between core and shell atoms" } ] }, { "@id": "https://w3id.org/np/RAUezteZYAd6FVwLZzUDgUiyGbKUlhETUolaDGYWLWOSo", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D2: Log10 of all atoms in the core" } ] }, { "@id": "https://w3id.org/np/RAUj9_3rqBTB0R5qA6nPRNgsxRc_eiwQGpDmxMJKk1CvU", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D5: The average potential energy of the core atoms in eV" } ] }, { "@id": "https://w3id.org/np/RAX6kxsYzcVa-g_uoEyMQ-qZkTxhjblVyx3cJ1ihQZO5s", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D28: The average ratio of the coordination parameter (5Ang) between core and shell atoms" } ] }, { "@id": "https://w3id.org/np/RAXBXTjjCuTcDxLbeQEIR2TZTgBMBbEmh8DXcyEdiP-p0", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D25: The average coordination parameter (5Ang) of the core atoms" } ] }, { "@id": "https://w3id.org/np/RAY8NTtTFSqJW6-7S8vbUehXWdpitXxH2En7M9jVR6a9g", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D32: The average difference of the coordination parameter (6Ang) between core and shell atoms" } ] }, { "@id": "https://w3id.org/np/RAY_B6dp5vb_5pr1ogSezMtyDLfh1lTKC-JX8lkbK0OP4", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D8: The average ratio of the potential energy between core and shell atoms in eV" } ] }, { "@id": "https://w3id.org/np/RAYsRAKTDoo8B7pRlZaoO_jQgRNqMNlcyRa9oBa2GhEJk", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D6: The average potential energy of the shell atoms in eV" } ] }, { "@id": "https://w3id.org/np/RAYvorB3SXY81ZVF8aOjRbjef4D1BViCmVm8_HZtGJoVw", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D1: Log10 of all atoms in the NP" } ] }, { "@id": "https://w3id.org/np/RAbuUzuY0WD1QRcbRPuCB8sGQrYk79hrhIYes6qVOfnrA", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D39: Lattice energy of NP divided by the NP diameter in eV/A" } ] }, { "@id": "https://w3id.org/np/RAcL9MOu2jan_BB1nwydIsdI2c-spmbTWrXlngNUA6glM", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D27: The average difference of the coordination parameter (5Ang) between core and shell atoms" } ] }, { "@id": "https://w3id.org/np/RAcqB-w6LJzuA4dF5yoptlbbNWM8CELxoSLYel79CH55s", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D34: The diameter of the NP in A" } ] }, { "@id": "https://w3id.org/np/RAdUIMw2eK2htC6Oas43yN911oIrvmyWWEDUlEAKWJUn8", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D52: The average second hex parameter of the core atoms" } ] }, { "@id": "https://w3id.org/np/RAf22HPgxAeLG5IIaW0iwRftPYaegB5NlCzj9tGV7r4Og", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D38: Lattice energy of bulk material - Lattice energy of NP in eV" } ] }, { "@id": "https://w3id.org/np/RAifwv2rRBIzyUGnOLoIAteJYyih2ncJQ6oZj2HHX4QcU", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D30: The average coordination parameter (6Ang) of the core atoms" } ] }, { "@id": "https://w3id.org/np/RAji9R7M9Q8Fhnzx1F9xWvoSTlG0KVa08UwHGfvcL7T6M", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D19: The average coordination parameter (4Ang) of all atoms" } ] }, { "@id": "https://w3id.org/np/RAmlf7S7ye_B9A5Ogjjtb4mS6Zy90N0ejvsQjC-M8zlMM", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D29: The average coordination parameter (6Ang) of all atoms" } ] }, { "@id": "https://w3id.org/np/RAmmZa4rZCBDF211T6ZVLsEc5emcHjDVcwQZfhHzo36oI", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D44: The average CNP (3Ang) of the core atoms" } ] }, { "@id": "https://w3id.org/np/RAol3CCOmanbbUepxEUSwe960IZ-PriV9zKa-ZVVyfj0I", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D22: The average difference of the coordination parameter (4Ang) between core and shell atoms" } ] }, { "@id": "https://w3id.org/np/RArfSVcvbX5ZrbMdDz2M5OEu8Yl2yAG6-8oRvMvwHXKJs", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D15: The average coordination parameter (3Ang) of the core atoms" } ] }, { "@id": "https://w3id.org/np/RAsj8qLlQ9B4VSu3VXnChEzz43mm3a0R0sQp1gNyEXV6c", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D4: The average potential energy of all atoms in eV" } ] }, { "@id": "https://w3id.org/np/RAtNT548zdPGB7HPpMipsf90HkbKvorCvbjFxiSRy90jo", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D17: The average difference of the coordination parameter (3Ang) between core and shell atoms" } ] }, { "@id": "https://w3id.org/np/RAuJO7SQbvFCp-m33usqP9DqCq0Wo3cPJnduUbiwJILME", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D40: Lattice energy of NP divided by the NP surface in eV/A^2" } ] }, { "@id": "https://w3id.org/np/RAuSb-f6SjTxQxRa467ZvqEdQojD0Pu5vdU3p9fP0Idt8", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D47: The average ratio of the CNP (3Ang) between core and shell atoms" } ] }, { "@id": "https://w3id.org/np/RAy18nsagcYYjKqsucVAH8mydXEfNsI-P6U9IRxKBI49k", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D37: Lattice energy of NP in eV" } ] }, { "@id": "https://w3id.org/np/RAzo1zPC0245aqExo_32OyZqMqfAuFE_Q_EuJZBOxxvh4", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D35: The surface area of the NP in A^2" } ] }, { "@id": "https://w3id.org/np/RAzqGMfscAsRNy8sJd3eytrxjYGvJXz9kvmTmDXbC4tBM", "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "D23: The average ratio of the coordination parameter (4Ang) between core and shell atoms" } ] } ] } ]