The Materials Data Facility

Discover Data

Search Results

Original Data from "Imaging Surface Topography with Coherent X-ray Reflectivity: Theory, Kinematics and Simulations"

Irene Calvo Almazan; Anusheela Das; Ana Suzana; Fernando Bartolome; Paul Fenter
DOI: 10.18126/t0ca-5645
Year: 2026

Optical properties of zincblende HgCdS and HgCdSe ternary alloys from first principles

Erick I. Hernandez Alvarez; Andrew M. Smith; André Schleife
DOI: 10.18126/5xfs-jr95
Year: 2026

Configurations and Atomic Energies of Paramagnetic FCC Fe

Yang Dan; Dallas R. Trinkle
DOI: 10.18126/hj3n-0g80
Year: 2026

Data for Thermodynamics and Kinetics of Li at the Ag-Li Battery Interface

Grace Lu; Dallas R. Trinkle
DOI: 10.18126/gfpd-mm33
Year: 2026

Configurations and Atomic Energies of Paramagnetic FCC Fe

Yang Dan; Dallas R. Trinkle
DOI: 10.18126/axgv-4y17
Year: 2026

Configurations and Atomic Energies of Dilute Magnetic Semiconductor GaN with Ni

Yang Dan; Dallas R. Trinkle
DOI: 10.18126/jx65-kk33
Year: 2025

Datasets for "Identifying Band Inversions in Topological Materials Using Diffusion Monte Carlo"

Lopez, Annette; Melton, Cody A.; Ahn, Jeonghwan; Rubenstein, Brenda M.; Krogel, Jaron T.
DOI: 10.18126/gmnn-3z95
Year: 2025

Investigating the effects of local environment on nitrogen vacancies in high entropy metal nitrides - Data

DeSilva, Charith R.; Witman, Matthew D.; Trinkle, Dallas R.
DOI: 10.18126/sadd-1e78
Year: 2025

Spin-space averaged Fe–C diffusion calculations from density functional theory

Wirth, Luke J.; Trinkle, Dallas R.
DOI: 10.18126/fttq-w045
Year: 2025

MS25: Materials Science-Focused Benchmark Data Set for Machine Learning Interatomic Potentials

Maxson, Tristan; Soyemi, Ademola; Zhang, Xinglong; Chen, Benjamin Wei Jie; Szilvasi, Tibor
DOI: 10.18126/6w8c-by76
Year: 2025