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Simulated sulfur K-edge X-ray absorption spectroscopy database of lithium thi...
We present a sulfur K-edge X-ray absorption near-edge structure (XANES) database of 18 crystalline and 48 amorphous Lithium-Phosphorous-Sulfur (LPS) compounds. The database... -
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... -
Observation of Weyl Nodes in Robust Type-II Weyl Semimetal WP2
Distinct to type-I Weyl semimetals (WSMs) that host quasiparticles described by the Weyl equation, the energy dispersion of quasiparticles in type-II WSMs violates Lorentz... -
Simulated sulfur K-edge X-ray absorption spectroscopy database of lithium thi...
We present a sulfur K-edge X-ray absorption near-edge structure (XANES) database of 18 crystalline and 48 amorphous Lithium-Phosphorous-Sulfur (LPS) compounds. The database... -
Efficient Training of ANN Potentials by Including Atomic Forces via Taylor Ex...
This data set contains atomic structures of water clusters, bulk water and rock-salt Li8Mo2Ni7Ti7O32 in the XCrySDen [1] structure format (XSF), and total energies are included...
