Table · dataset · 2026
Supplementary material for "Tackling Structural Complexity in Li2S-P2S5 Solid-State Electrolytes Using Machine Learning Potentials"
Listed in Edmond
Description
Python code for the sampling of amorphous thiphosphate-type solid-state electrolytes with arbitrary stoichiometry. The code has been used in the paper "Tackling Structural Complexity in Li2S-P2S5 Solid-State Electrolytes Using Machine Learning Potentials" (C. Staacke, T. Huss, J. T. Margraf , K. Reuter and C. Scheurer, Nanomaterials 2022, 12(17), 2950; doi.org/10.3390/nano12172950) for the sampling of different amorphous cells of the LPS family.
Furthermore the Gaussian Approximation Potential (GAP) derived in this work and the corresponding training data are provided.
Links
Where it is published
- Dataverse dataset page edmond.mpg.de/dataset.xhtml?persistentId=doi%3A10.17617%2F3.YKEMMO ↗
landing page · from edmond mpdl mpg de
- DOI doi.org/10.17617/3.ykemmo ↗
DOI / persistent id · from edmond mpdl mpg de
Catalogue records · 1
- Dataverse API edmond.mpg.de/api/datasets/:persistentId/?persistentId=doi%3A10.17617%2F3.YK… ↗
metadata API · from edmond mpdl mpg de
Topics
- Stated by source
- Materials Science and Engineering · Materials Science and Engineering
- From keywords
- Astronomy & Astrophysics · Chemistry · Computer Science & AI · Computer Science & AI · Earth & Environmental Science · Economics & Finance · Engineering · Engineering · Humanities · Life Sciences · Machine learning · Machine learning · Materials Science · Materials Science · Medicine & Health · Ocean & Atmospheric Science · Physics · Social Science
Provenance · 2 source records, 26 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Edmond | doi:10.17617/3.YKEMMO | 11 d ago | JSON v1 |
| Edmond | doi:10.17617/3.YKEMMO | 10 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
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| concepts[field].anzsrc:group:4611 | mapping · edmond mpg de | vocabulary-mapper@1.0.0 | keywords['Machine Learning'] |
| concepts[field].dataverse_subject:materials-science-and-engineering | source · edmond mpg de | connector:edmond_mpg_de@1.0.0 | /subjects |
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| concepts[field].local:field:astronomy | mapping · edmond mpg de | connector:edmond_mpg_de@1.0.0 | /subjects |
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| concepts[field].local:field:computer-science-ai | mapping · edmond mpg de | connector:edmond_mpg_de@1.0.0 | /subjects |
| concepts[field].local:field:computer-science-ai | mapping · edmond mpdl mpg de | connector:edmond_mpdl_mpg_de@1.0.0 | /subjects |
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| concepts[field].local:field:engineering | mapping · edmond mpg de | connector:edmond_mpg_de@1.0.0 | /subjects |
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| concepts[field].local:field:life-sciences | mapping · edmond mpg de | connector:edmond_mpg_de@1.0.0 | /subjects |
| concepts[field].local:field:materials-science | mapping · edmond mpg de | connector:edmond_mpg_de@1.0.0 | /subjects |
| concepts[field].local:field:materials-science | mapping · edmond mpdl mpg de | connector:edmond_mpdl_mpg_de@1.0.0 | /subjects |
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| concepts[field].local:field:ocean-atmospheric | mapping · edmond mpg de | connector:edmond_mpg_de@1.0.0 | /subjects |
| concepts[field].local:field:physics | mapping · edmond mpg de | connector:edmond_mpg_de@1.0.0 | /subjects |
| concepts[field].local:field:social-science | mapping · edmond mpg de | connector:edmond_mpg_de@1.0.0 | /subjects |
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| description | source · edmond mpdl mpg de | connector:edmond_mpdl_mpg_de@1.0.0 | /description |
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| updated_date | source · edmond mpdl mpg de | connector:edmond_mpdl_mpg_de@1.0.0 | |
| version_label | source · edmond mpdl mpg de | connector:edmond_mpdl_mpg_de@1.0.0 |