The Organic Superconductor Database

A database of low dimensional organic crystals containing structural information, electronic band structure calculations, and experimental measurements is presented. These materials exhibit a variety of phenomena including unconventional superconductivity, charge and spin density waves, and spin liquid states. The database is a versatile tool for scientists studying quantum materials and will pave the way towards new discoveries and materials, especially via machine learning methods. A website provides access to the database. The database contains an analysis of the geometric arrangement of donor molecules for each material. The band structure, density of states, and Fermi surface is available from calculations made by applying a tight binding model to charge transfer integrals obtained using Gaussian09. We will show how this data can be used to understand the relationship between crystal structure and band structure. We will also present a calculation relating the charge transfer integral phase space to the relative geometry between two donor molecules. We will discuss how the experimental measurements stored in the database can be analyzed in conjunction with band structure to probe the mechanism of correlated electron systems.