Table 2 Keys corresponding to “all_bonds” and “cation_anion_bonds” in the LOBSTER lightweight data JSON file.
From: A Quantum-Chemical Bonding Database for Solid-State Materials
Root keys | Datatype | Description |
|---|---|---|
lobsterpy_data | dict | Condensed bonding analysis data from LobsterPy (See Table 4 for details). |
lobsterpy_text | string | Contains LobsterPy automatic analysis summary text. |
sb_icobi | dict | Dict with the strongest ICOBI bonds. |
sb_icohp | dict | Dict with the strongest ICOHP bonds. |
sb_icoop | dict | Dict with the strongest ICOOP bonds. |
