Data and Code for Visualizing Compositional Analysis to Identify Reference Compositions, Thermoelectric Properties of Reference Materials, and Property Distributions in BiTe-Based Systems

This dataset contains Python scripts and associated input data for generating figures used in the manuscript titled "Reference compositions for bismuth telluride thermoelectric materials for low-temperature power generation." It includes visualizations related to compositional analysis, the thermoelectric properties of reference compositions, and the distributions of TEP properties in BiTe-based systems. Literature data used in Sections 1 and 3 is sourced from starrydata2.org.Compositional Analysis of p-type and n-type BiTe Systems:The scripts p_type_BiSbTe_composition_analysis.py and n_type_BiTeSe_composition_analysis.py use 2021-12-14_atom_composition.csv, 2021-12-16_p_type_BiTe_sampleid.csv, 2021-12-16_n_type_BiTe_sampleid.csv, and 20211124_rawdata_03_1_dev_fast_run_eff_check_20211209_205849.csv as inputs. These scripts generate bar charts of dopant frequency, violin plots of dopant atomic fraction, KDE plots of Te vs Se and Bi vs Sb, and histograms of host atom ratios and Sb atom counts. The input composition data was extracted from the literature using Starrydata2.org.Thermoelectric Properties of Reference Compositions:The scripts TE properties_p-type_Bi0.46Sb1.54Te3.py and TE properties_n-type_Bi2Te2.7Se0.3.py visualize direction-resolved TE properties of Bi₀.₄₆Sb₁.₅₄Te₃ and Bi₂Te₂.₇Se₀.₃ using the input files TE properties_Bi0.46Sb1.54Te3_HP_A-axis.csv, TE properties_Bi0.46Sb1.54Te3_HP_C-axis.csv, TE properties_Bi0.46Sb1.54Te3_SPS_A-axis.csv, TE properties_Bi0.46Sb1.54Te3_SPS_C-axis.csv, TE properties_Bi2Te2.7Se0.3_HP_A-axis.csv, TE properties_Bi2Te2.7Se0.3_HP_C-axis.csv, TE properties_Bi2Te2.7Se0.3_SPS_A-axis.csv, and TE properties_Bi2Te2.7Se0.3_SPS_C-axis.csv. These scripts produce plots of σ, S, PF, κ, κₚₕ, and zT along A- and C-axis directions.TEP Property Distribution in BiTe Systems:The scripts p-type_Bi0.46Sb1.54Te3_TEP distribution.py and n-type_Bi2Te2.7Se0.3_TEP distribution.py utilize literature data from Starrydata2.org (20211124_rawdata_alpha.csv, 20211124_rawdata_sigma.csv, 20211124_rawdata_kappa.csv, and 20211124_rawdata_zT.csv), along with sample ID filters and experimental overlay files such as TE properties_Bi0.46Sb1.54Te3_SPS_A-axis.csv or TE properties_Bi2Te2.7Se0.3_SPS_A-axis.csv. These scripts generate KDE plots that show the distributions of S, σ, κ, and zT, with reference composition data overlaid for comparison. All output figures are saved in .tif format