Table 1. Comparison of average remaining standard deviations of ΔV of the cations in the reference sets of cation environments for the three investigated parameter sets.
Parameter set | Cut-off | ΔV | ΔV (n > 20)† |
---|---|---|---|
softBV | Self-consistent | 0.0719 | 0.0807 |
softNC1 | First coordination shell | 0.0797 | 0.0891 |
convBV | First coordination shell | 0.1157 | 0.1146 |
Average standard deviation when considering only those cation–anion pairs for which the reference set comprised more than 20 cation environments.