8 generated crystal structures for the chemical system Fe-Te-Co

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -59.9469 eV; energy change = -0.0022 eV; symmetry: P4/mmm → P4/mmm

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -8.23 THz

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -168.0808 eV; energy change = -0.0111 eV; symmetry: P4/mbm → P4/mbm

8 generated crystal structures for the chemical system Fe-Sb-Co

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -24.7131 eV; energy change = 0.0000 eV; symmetry: Pmmm → Pmmm

Fe7Te8S (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

Fe3Te4Se (space group: Pm-3m #221, crystal system: cubic, point group: m-3m)

Fe2SbB (space group: Pmmm #47, crystal system: orthorhombic, point group: mmm) (missed expected composition: Fe2SbB)

8 generated crystal structures for the chemical system Fe-Mn-Bi-B

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -0.91 THz

Phase diagram of FeSnBi3; eabovehull: 0.224796 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -92.0260 eV; energy change = -0.9237 eV; symmetry: Cmmm → Cmmm

8 generated crystal structures for the chemical system Fe-Bi-Sn

FeBiSn (space group: P3m1 #156, crystal system: trigonal, point group: 3m) (missed expected composition: FeBiSn)

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -90.5637 eV; energy change = -0.0563 eV; symmetry: P21/c → P21/c