Crystal structure for MnV2P2O7 generated by GPSK-300 (3-channel reciprocal-space DiT). 12 sites, min distance 0.836A, selected from 3 candidates.
Crystal structure for MnCrP2O7 generated by GPSK-05 (v12 periodic DiT + AdaLN). 8 sites, min distance 1.907A, bonds/atom 3.0, selected from 20 candidates.
Phase diagram of YMnO3; eabovehull: 0.345640 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -40.0650 eV; energy change = 0.0000 eV; symmetry: Pm-3m → Pm-3m
YMnO3 (space group: Pm-3m #221, crystal system: cubic, point group: m-3m)
CaZrN2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Crystal structure for MnV2P2O7 generated by GPSK-300 (3-channel reciprocal-space DiT). 12 sites, min distance 0.836A, selected from 3 candidates.
Crystal structure for MnCrP2O7 generated by GPSK-05 (v12 periodic DiT + AdaLN). 8 sites, min distance 1.907A, bonds/atom 3.0, selected from 20 candidates.
Phase diagram of YMnO3; eabovehull: 0.345640 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -40.0650 eV; energy change = 0.0000 eV; symmetry: Pm-3m → Pm-3m
YMnO3 (space group: Pm-3m #221, crystal system: cubic, point group: m-3m)
CaZrN2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)