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. 2016 Sep 20;6:33733. doi: 10.1038/srep33733

Table 2. Room temperature ionic conductivity and activation energy of t-Na3−x PS4−x Cl x .

x (%) AIMD simulations Experiment
  σ300K (mS cm−1) Ea (meV) σ303K (mS cm−1) Ea (meV)
0 N/A N/A 0.05 317
6.25 1.38 [1.04, 1.82] 232 1.14 249

Calculated AIMD and experimental Na+ conductivity and activation energy of the t-Na3−xPS4−xClx superionic conductor. Values in the square brackets indicate the error range of the calculated ionic conductivity.