Inc1

Published datasets resulting from project Incubator 1 "Design and Discovery of Novel Solid-State Ionic Conductors".

10.24435/materialscloud:nf-hr — Solids that are also liquids: elastic tensors of superionic materials, by G. Materzanini, T. Chiarotti, N. Marzari
Related MARVEL publication:
- G. Materzanini, T. Chiarotti, N. Marzari, Solids that are also liquids: Elastic tensors of superionic materials, npj Computational Materials 9, 10 (2023). [Open Access URL]
  Group(s): Marzari / Project(s): INC1

10.24435/materialscloud:rs-1t — High Li-ion conductivity in tetragonal LGPO: a comparative first-principles study against known LISICON and LGPS phases, by G. Materzanini, L. Kahle, A. Marcolongo, N. Marzari
Related MARVEL publication:
- G. Materzanini, L. Kahle, A. Marcolongo, N. Marzari, Electrolytes for Li-ion all-solid-state batteries: a first-principles comparative study of Li₁₀GeP₂O₁₂ and Li₁₀GeP₂S₁₂ in the LISICON and LGPS phases, arXiv:2010.08068(2020). [Open Access URL]
  Group(s): Laino, Marzari / Project(s): INC1
10.24435/materialscloud:3a-9v — Li_4-xGe_1-xP_xO₄, a potential solid-state electrolyte for all-oxide microbatteries, by E. Gilardi, G. Materzanini, L. Kahle, M. Doebeli, S. Lacey, X. Cheng, N. Marzari, D. Pergolesi, A. Hintennach, T. Lippert
Related MARVEL publication:
- E. Gilardi, G. Materzanini, L. Kahle, M. Döbeli, S. Lacey, X. Cheng, N. Marzari, D. Pergolesi, A. Hintennach, T. Lippert, Li_4-xGe_1-xP_xO₄, a Potential Solid-State Electrolyte for All-Oxide Microbatteries, ACS Applied Energy Materials3, 9910 (2020). [Open Access URL]
  Group(s): Laino, Lippert, Marzari, Pergolesi / Project(s): INC1, PP7
10.24435/materialscloud:2019.0077/v1 — High-throughput computational screening for solid-state Li-ion conductors, by L. Kahle, A. Marcolongo, N. Marzari
Related MARVEL publication:
- L. Kahle, A. Marcolongo, N. Marzari, High-throughput computational screening for solid-state Li-ion conductors, Energy & Environmental Science 13, 928–948 (2020). [Open Access URL]
  Group(s): Laino, Marzari / Project(s): INC1
10.24435/materialscloud:2019.0070/v1 — Comparison of computational methods for the electrochemical stability window of solid-state electrolyte materials, by T. Binninger, A. Marcolongo, M. Mottet, V. Weber, T. Laino
Related MARVEL publication:
- T. Binninger, A. Marcolongo, M. Mottet, V. Weber, T. Laino, Comparison of computational methods for the electrochemical stability window of solid-state electrolyte materials, Journal of Materials Chemistry A 8, 1347 (2020). [Open Access URL]
  Group(s): Laino / Project(s): INC1
10.24435/materialscloud:2019.0068/v1 — The solid-state Li-ion conductor Li₇TaO₆: A combined computational and experimental study, by L. Kahle, X. Cheng, T. Binninger, S. D. Lacey, A. Marcolongo, F. Zipoli, E. Gilardi, C. Villevieille, M. El Kazzi, N. Marzari, D. Pergolesi
Related MARVEL publication:
- L. Kahle, X. Cheng, T. Binninger, S. D. Lacey, A. Marcolongo, F. Zipoli, E. Gilardi, C. Villevieille, M. E. Kazzi, N. Marzari, D. Pergolesi, The solid-state Li-ion conductor Li₇TaO₆: A combined computational and experimental study, Solid State Ionics 347, 115226 (2020). [Open Access URL]
  Group(s): Laino, Marzari, Pergolesi, Villevieille / Project(s): INC1
10.24435/materialscloud:2019.0067/v1 — Simulating diffusion properties of solid-state electrolytes via a neural network potential: Performance and training scheme, by A. Marcolongo, T. Binninger, F. Zipoli, T. Laino
Related MARVEL publication:
- A. Marcolongo, T. Binninger, F. Zipoli, T. Laino, Simulating diffusion properties of solid-state electrolytes via a neural network potential: Performance and training scheme, ChemSystemsChem 2, e1900031 (2020). [Open Access URL]
  Group(s): Laino / Project(s): INC1