Ring-Metal Quasi 1D database

Select property Formation Energy [-0.32, 1.74] eV/atom       Units        eV/atom Atomization Energy [-5.04, -3.84] eV/atom       Units        eV/atom Bandgap [0.02, 8.27] eV       Units        eV nm Smallest Direct Bandgap [0.23, 8.27] eV       Units        eV nm No. of imaginary wave nos. [0, 6]       Units        dimensionless Lowest wave no. [-192.77, 8.44] cm⁻¹       Units        cm⁻¹ THz q* [0.0,0.5] A⁻¹       Units        A⁻¹ I1/I3 [0.03, 0.94]       Units        dimensionless I2/I3 [0.59 to 1.0]       Units        dimensionless Select the property for sorting  Formation Energy Atomization Energy Bandgap Smallest Direct Bandgap No. of imaginary wave nos. Lowest wave no. q* I₁/I₃ I₂/I₃ Select the order for sorting  Ascending Descending

For query screenshots, see Supplementary Information of High-throughput design of Peierls and charge density wave phases in Q1D organometallic materials P. Kayastha, R. Ramakrishnan, J. Chem. Phys., 154 (2021) 061102. (Link to Supplementary Information)