{
  "annotation_id": "48149035-02b8-4a2b-bbc9-900f3f453b31",
  "date_created": "2026-03-02T18:00:43.001000Z",
  "date_modified": "2026-03-02T18:00:43.001000Z",
  "file_hash": "43a67f3135835b61d57a4f49680085f317aef5f67d6a0d7d9151e8f5c20732d0",
  "private": false,
  "record": {
    "abstract": "We investigate the equilibrium geometries and the systematics of bonding in\nvarious isomers of a 24-atom boron cluster using Born-Oppenheimer molecular\ndynamics within the framework of density functional theory. The isomers studied\nare the rings, the convex and the quasiplanar structures, the tubes and, the\nclosed structures. A staggered double-ring is found to be the most stable\nstructure amongst the isomers studied. Our calculations reveal that a 24-atom\nboron cluster does form closed 3-d structures. All isomers show staggered\narrangement of nearest neighbor atoms. Such a staggering facilitates $sp^2$\nhybridization in boron cluster. A polarization of bonds between the peripheral\natoms in the ring and the planar isomers is also seen. Finally, we discuss the\nfusion of two boron icosahedra. We find that the fusion occurs when the\ndistance between the two icosahedra is less than a critical distance of about\n6.5a.u.",
    "arxiv_id": "physics/0305103",
    "authors": [
      "S. Chacko",
      "D. G. Kanhere",
      "I. Boustani"
    ],
    "categories": [
      "physics.atm-clus"
    ],
    "doi": "10.1103/PhysRevB.68.035414",
    "title": "Ab initio density functional investigation of B_24 cluster: Rings,   Tubes, Planes, and Cages",
    "url": "https://arxiv.org/abs/physics/0305103"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "61b73bc8-ef34-4007-a69b-0086bfdab93d",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}