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Files

8 total

WS2 phase diagram

.html

Phase diagram of WS2; eabovehull: 0.000000 eV/atom; predicted_stable: True

13d

ws2-initial-bulk - relaxed

.cif

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -2368.1655 eV; energy change = -4.7832 eV; symmetry: P-6m2 → P3m1

13d

ws2-initial-bulk

.cif
13d

ws2-600k 2l S vac 3x - relaxed

.cif

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -1684.2686 eV; energy change = -0.0681 eV; symmetry: P1 → P1

13d

ws2-600k 2l S vac 3x

.cif
13d

Bilayer WS2 300 K

.traj
14d

WS2 300 K trajectory – MatterViz trajectory viewer

.html

Standalone, embeddable HTML with MatterViz Trajectory viewer

14d

WS2 300 K trajectory

.traj
14d

@mmoderwell-matter42

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