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AENET-LAMMPS and AENET-TINKER: interfaces for accurate and efficient molecula...
This data set contains atomic structures of liquid water and amorphous Li(x)Si in the XCrySDen structure format (XSF) [1]. Total energies are included as additional meta... -
Structure database of glass-ceramic lithium thiophosphate electrolytes
This database contains computationally generated atomic structures of glass-ceramics lithium thiophosphates (gc-LPS) with the general composition (Li2S)x(P2S5)1-x in the...
