RBO4_Lattice_Energy_Calculator.xlsx
收藏DataCite Commons2026-04-13 更新2026-05-04 收录
下载链接：
https://data.mendeley.com/datasets/6tcj4yv7s6
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资源简介：
SANJAY KR. GORAI, SANJAY (2026), “RBO4_Lattice_Energy_Calculator.xlsx”, Mendeley Data, V1, doi: 10.17632/6tcj4yv7s6.1
The Excel calculator for computing group electronegativity (χ_gr) and lattice energies for RBO₄ compounds is provided as Supporting Information (File S1). The calculator includes three worksheets:
Electronegativity_data: Electronegativity values for La–Lu, Sc, Y, P, As, and O from four scales (Pauling, Gordy, Allred-Rochow, and Ghosh et al.)
Calculator: Automatic computation of χ_gr, n_avg, n_avg/χ_gr, U_ModelI, U_ModelII, and percentage errors
Summary_Statistics: R² and MAPE comparisons for all structure-anion families
提供机构：
Mendeley Data
创建时间：
2026-04-13
