inAug 13

TCTP-TCSP p1/4 k2 distinct topology 59cae21efd6d Mo-B-Fe Orb survivor 2d9f0941ae

Data Docs Logs

Overview

Has a version

TCTP-TCSP p1/4 k2 distinct topology 59cae21efd6d Mo-B-Fe Orb survivor 2d9f0941ae - relaxed

1313

Structure

Formula: Fe₃B₂Mo₄
Space group: P2/m (10)
Crystal system: Monoclinic
Atoms per cell: 9
Lattice a, b, c: 6.235 Å5.919 Å3.106 Å
Angles α, β, γ: 90.00°90.01°70.49°
Volume: 108.06 Å³
Density: 8.80 g/cm³

Attribution

Actions

Structure

Formula: Fe₃B₂Mo₄
Space group: P2/m (10)
Crystal system: Monoclinic
Atoms per cell: 9
Lattice a, b, c: 6.235 Å5.919 Å3.106 Å
Angles α, β, γ: 90.00°90.01°70.49°
Volume: 108.06 Å³
Density: 8.80 g/cm³

Attribution

ARR license

Private Mo-B-Fe boride on canonical DCEL 59cae21efd6dc875c9cfb10942862c00185c03902e90ed39edfa314e843636da, nonisomorphic to saturated rank1 p=1/4,k=2 scaffold. Not a chemistry decoration. Orb conservative-20 OMat variable-cell relaxation converged=true, force 0.04604 eV/A, stress 0.00371; CN9 2/2 CN12 3/3 and legacy topology survive. Spglib Pm#6 to P1#1 symprec1e-3. MLIP topology survivor only. SHA 2d9f0941aee168e8993ef1deac448bac7cc11b4101bba4990b6deff0a3668090

13

Stats

Size: 1.41 KB
Type: .cif file
Downloads: 0

Join to comment

50

DataData

DataData

Overview

TCTP-TCSP p1/4 k2 distinct topology 59cae21efd6d Mo-B-Fe Orb survivor 2d9f0941ae

Overview

Structure

Attribution

Actions

Structure

Attribution

Stats

Actions

Data

Data