Table 1 The construction of S K-edge XAS database in gc-LPS.

From: Simulated sulfur K-edge X-ray absorption spectroscopy database of lithium thiophosphate solid electrolytes

Database

Compositions

Structures

S Sites

Crystalline

9

18

141

Glassy

21

48

2540

Total

28

66

2681

  1. Note that two compositions (Li3PS4 and Li4P2S7) appear in both crystalline and glassy structure models, so the total number of compositions is 28 instead of 30.
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