mat-elemental-energies
OfficialGet ground-state elemental energies instantly.
Education & Research#reference data#thermodynamics#materials project#MLIP#elemental energies#formation energy
Authorlearningmatter-mit
Version1.0.0
Installs0
System Documentation
What problem does it solve?
It eliminates repeated structure relaxations for elemental reference states by providing a consistent library of ground-state phases and precomputed reference energies from multiple MLIPs.
Core Features & Use Cases
- Ground-state reference library: Supplies the most stable elemental phase per element (H–Lr) using Materials Project ground-state selection rules.
- Multi-checkpoint energy retrieval: Returns reference energies for any requested element set given an MLIP checkpoint (library files follow a
<checkpoint>_energies.jsonconvention). - Formation-energy ready (eV/atom): Provides energies stored as eV/atom, suitable for downstream formation energy and thermodynamics calculations.
Quick Start
Ask your agent to retrieve the reference energies for Li, Fe, and O using the mace-mp-medium checkpoint.
Dependency Matrix
Required Modules
None requiredComponents
scriptsassets
💻 Claude Code Installation
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Please help me install this Skill: Name: mat-elemental-energies Download link: https://github.com/learningmatter-mit/AtomisticSkills/archive/main.zip#mat-elemental-energies Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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