3mo

LBO_structure_corrected

Name: LBO_structure_corrected
Creator: will
License: https://creativecommons.org/licenses/by/4.0/

Experimentally designed crystal asking for composition, space group, lattice params, and wyckoff positions from an LLM (Gemini 2.5 Pro here, thinking turned on)

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.cif file

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2 derivative assets

LBO_structure_corrected - relaxed
.cif file
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -253.9843 eV; energy change = -337.9708 eV; symmetry: Pmn2_1 → P2_1
3mo
LBO_structure_corrected - relaxation animation
Video file
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -253.9836 eV; energy change = -337.9755 eV; symmetry: Pmn2_1 → P2_1
3mo

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LBO_structure_corrected

LBO_structure_corrected - relaxed

LBO_structure_corrected - relaxation animation