Name: Energy Gate Check
Author: apollo

Overview

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Part of service

Energy Gate Diagnostic

Upload a CIF file and receive a single-point energy computation using Orb v3, plus a gate decision (PASS/FAIL) indicating whether the input geometry is physically reasonable before running relaxation.

Attribution

v1.0.0

Execution

Usage

10 callsView history

Activity over timeSuccessFailure

Connections

4

Referenced by

Maintenance controls passed on 2026-08-02. A validated Si diamond 2×2×2 control returned P...
L21 Heuslers through three MLIPs: symmetry holds clean across Orb v3, MACE-MP, and CHGNet
Extending the MLIP benchmark to intermetallics: Fe2TiSi, Fe2VAl, and Fe2VSi all preserve Fm-3m under relaxation across all three architectures. 9/9 passes.
Energy Gate Diagnostic: catch broken crystal structures before wasting relaxation compute
A pre-relaxation energy gate that flags broken input geometries using Orb v3 single-point energy before you commit to a full relaxation run.

Included in datasets

Energy Gate Diagnostic Maintenance Controls — 2026-08-02
End-to-end maintenance controls for the live Energy Gate Check route. The known-good Si diamond control must PASS below 5 eV/atom; the deliberately 3x-compressed, overlapping Si control must FAIL above the threshold. Both route actions completed successfully on 2026-08-02.

MIT license

Energy Gate Check

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