Ionic Supplemental Column Title Key Column Name Description compound Identified compound icsd Collection Code in Inorganic Crystal Structure Database (ICSD) spacer1 Most electropositive spacer identified spacer2 2nd Most electropositive spacer identified spacer3 Least electropositive spacer identified layering_dir_h h value from layering direction: hkl layering_dir_k k value from layering direction: hkl layering_dir_l l value from layering direction: hkl stoichiometry Stoichiometry of compound as three digit number crystal_structure Crystal Structure of structure space_group_number Space group number of structure space_group Space group of structure density Density after relaxation, g/cm^3 volume Volume per atom after relaxation, angstrom^3 mass_per_atom Average mass per atom after relaxation, 10^-24 g number_of_atoms Number of atoms in the unit cell bandgap Bandgap calculated from DFT, eV avg_coordination_number Average coordination for every atom in the structure BV Voigt average of Bulk Modulus, GPa BR Reuss average of Bulk Modulus, GPa BH Hill average of Bulk Modulus, GPa GV Voigt average of Shear Modulus, GPa GR Reuss average of Shear Modulus, GPa GH Hill average of Bulk Modulus, GPa AU Universal Anisotropy Index Youngs_iso Isotropic Value of Young's Modulus, GPa Youngs_min_x x direction of minimum value of anisotropic Young's Modulus Youngs_min_y y direction of minimum value of anisotropic Young's Modulus Youngs_min_z z direction of minimum value of anisotropic Young's Modulus Youngs_max_x x direction of maximum value of anisotropic Young's Modulus Youngs_max_y y direction of maximum value of anisotropic Young's Modulus Youngs_max_z z direction of maximum value of anisotropic Young's Modulus Youngs_min Minimum value of anisotropic Young's Modulus, GPa Youngs_max Maximum value of anisotropic Young's Modulus, GPa Youngs_avg Polar average of anisotropic Young's Modulus, GPa Youngs_std Polar standard deviation of anisotropic Young's Modulus, GPa Youngs_std_rel Polar relative standard deviation of anisotropic Young's Modulus Youngs_out Out-of-plane value of anisotropic Young's Modulus, GPa Youngs_in Averaged in-plane value of anisotropic Young's Modulus, GPa Youngs_ratio Ratio of out-of-plane to in-plane values of anisotropic Young's Modulus C11 11 value of elastic tensor in Voigt notation, Gpa C12 12 value of elastic tensor in Voigt notation, Gpa C13 13 value of elastic tensor in Voigt notation, Gpa C14 14 value of elastic tensor in Voigt notation, Gpa C15 15 value of elastic tensor in Voigt notation, Gpa C16 16 value of elastic tensor in Voigt notation, Gpa C21 21 value of elastic tensor in Voigt notation, Gpa C22 22 value of elastic tensor in Voigt notation, Gpa C23 23 value of elastic tensor in Voigt notation, Gpa C24 24 value of elastic tensor in Voigt notation, Gpa C25 25 value of elastic tensor in Voigt notation, Gpa C26 26 value of elastic tensor in Voigt notation, Gpa C31 31 value of elastic tensor in Voigt notation, Gpa C32 32 value of elastic tensor in Voigt notation, Gpa C33 33 value of elastic tensor in Voigt notation, Gpa C34 34 value of elastic tensor in Voigt notation, Gpa C35 35 value of elastic tensor in Voigt notation, Gpa C36 36 value of elastic tensor in Voigt notation, Gpa C41 41 value of elastic tensor in Voigt notation, Gpa C42 42 value of elastic tensor in Voigt notation, Gpa C43 43 value of elastic tensor in Voigt notation, Gpa C44 44 value of elastic tensor in Voigt notation, Gpa C45 45 value of elastic tensor in Voigt notation, Gpa C46 46 value of elastic tensor in Voigt notation, Gpa C51 51 value of elastic tensor in Voigt notation, Gpa C52 52 value of elastic tensor in Voigt notation, Gpa C53 53 value of elastic tensor in Voigt notation, Gpa C54 54 value of elastic tensor in Voigt notation, Gpa C55 55 value of elastic tensor in Voigt notation, Gpa C56 56 value of elastic tensor in Voigt notation, Gpa C61 61 value of elastic tensor in Voigt notation, Gpa C62 62 value of elastic tensor in Voigt notation, Gpa C63 63 value of elastic tensor in Voigt notation, Gpa C64 64 value of elastic tensor in Voigt notation, Gpa C65 65 value of elastic tensor in Voigt notation, Gpa C66 66 value of elastic tensor in Voigt notation, Gpa vdW_match Existence of vdW match for compound, yes/no vdW_match_count Number of vdW matches vdW_match1 1st vdW match vdW_match2 2nd vdW match vdW_match3 3rd vdW match vdW_match4 4th vdW match vdW_match5 5th vdW match vdW_match6 6th vdW match vdW_match7 7th vdW match vdW_match8 8th vdW match vdW_match9 9th vdW match vdW_match10 10th vdW match vdW_match11 11th vdW match vdW_match12 12th vdW match vdW_match13 13th vdW match vdW_match14 14th vdW match vdW_match15 15th vdW match vdW_match16 16th vdW match vdW_match17 17th vdW match vdW_match18 18th vdW match vdW_match19 19th vdW match vdW_match20 20th vdW match vdW_match21 21st vdW match vdW_match22 22nd vdW match vdW_match23 23rd vdW match vdW_match24 24th vdW match vdW_match25 25th vdW match vdW_match26 26th vdW match vdW_match27 27th vdW match vdW_match28 28th vdW match vdW_match29 29th vdW match vdW_match30 30th vdW match vdW_match31 31st vdW match vdW_match32 32nd vdW match vdW_match33 33rd vdW match vdW_match34 34th vdW match vdW_match35 35th vdW match vdW_match36 36th vdW match vdW_match37 37th vdW match vdW_match38 38th vdW match vdW_match39 39th vdW match vdW_match40 40th vdW match vdW_match41 41st vdW match vdW_match42 42nd vdW match vdW_match43 43rd vdW match vdW_match44 44th vdW match vdW_match45 45th vdW match vdW_match46 46th vdW match vdW_match47 47th vdW match vdW_match48 48th vdW match vdW_match49 49th vdW match vdW_match50 50th vdW match