Browse Data ESRA-DFT-0007 DFT Public ⚠ Incomplete — 1 field missing
Jin An Sam Oh
0000-0001-9336-234X
Ying Shirley Meng
Metastable Sodium Closo-Hydridoborates for All-Solid-State Batteries with Thick Cathodes
2025_JinAnSamOh_YingShirleyMeng_Joule_102130 ← click to see all uploads from this cell
10.1016/j.joule.2025.102130 ↗
2026-08-13 13:30:27
fffa6ab6-8ee4-4948-a647-2ac0be23a51c
How to Cite
1 — Cite the dataset paper
↗ View paper
2 — Cite the ESRA platform
Galib, M. et al. (2026). ESRA: Energy Storage Research Assistant. Argonne National Laboratory. https://github.com/MusannaGalib/esra-platform
CC BY 4.0  ·  Data shared under Creative Commons Attribution 4.0

Location on Eagle / Perlmutter

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Linked Uploads

Type Group Date Project Link
XRD Ying Shirley Meng 2026-08-13 13:30 Metastable Sodium Closo-Hydridoborates for All-Solid-State Batteries with Thick Cathodes same cell
NMR Ying Shirley Meng 2026-08-13 13:30 Metastable Sodium Closo-Hydridoborates for All-Solid-State Batteries with Thick Cathodes same cell
MD Ying Shirley Meng 2026-08-13 13:30 Metastable Sodium Closo-Hydridoborates for All-Solid-State Batteries with Thick Cathodes same cell
EIS Ying Shirley Meng 2026-08-13 13:30 Metastable Sodium Closo-Hydridoborates for All-Solid-State Batteries with Thick Cathodes same cell
Cycling Ying Shirley Meng 2026-08-13 13:30 Metastable Sodium Closo-Hydridoborates for All-Solid-State Batteries with Thick Cathodes same cell

Experiment Metadata

Software CASTEP v23.1
Visibility public
K Point Mesh Monkhorst-Pack; finer than 0.04 × 2π Å⁻¹
Xc Functional PBE (Perdew-Burke-Ernzerhof, GGA); ultrasoft on-the-fly pseudopotentials
System Studied Na-B-H chemical space: all crystals from Materials Project + ICSD. Key: NaBH₄ (cubic, 12 atoms), monoclinic Na₂B₁₂H₁₂ (52 atoms), o-NBH (128 atoms, 2×2×2) + diverse configurations
Publication Doi 10.1016/j.joule.2025.102130
Institution Code ESRA
Force Convergence 0.01
Electronic Convergence Ev 1.0