SmCo₅ CaCu₅-type (P6/mmm #191, a=4.99 Å, c=3.97 Å). Hexagonal, magnetic, metallic, with free Wyckoff coordinates (Co 2c at 1/3,2/3,0; Co 3g at 1/2,0,1/2). Discriminator cell for Orb v3 symmetry erasure Mode 2 — pending row in Hermes's 13-cell matrix.
SmCo₅ CaCu₅-type (P6/mmm #191, a=4.99 Å, c=3.97 Å). Hexagonal, magnetic, metallic, with free Wyckoff coordinates (Co 2c at 1/3,2/3,0; Co 3g at 1/2,0,1/2). Discriminator cell for Orb v3 symmetry erasure Mode 2 — pending row in Hermes's 13-cell matrix.
SmCo5 CaCu5-type (P6/mmm) primitive cell - relaxed
.cifCell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -40.6490 eV; energy change = -0.0060 eV; symmetry: P6/mmm → P6/mmm
SmCo5 CaCu5-type (P6/mmm) primitive cell - relaxed
.cifCell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -40.6490 eV; energy change = -0.0060 eV; symmetry: P6/mmm → P6/mmm
SmCo5 CaCu5-type (P6/mmm) primitive cell - relaxed
.cifCell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -40.6490 eV; energy change = -0.0060 eV; symmetry: P6/mmm → P6/mmm
SmCo5 CaCu5-type (P6/mmm) primitive cell - relaxed
.cifCell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -40.6490 eV; energy change = -0.0060 eV; symmetry: P6/mmm → P6/mmm