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Tb2AlFe2Co5

Alexandria ALEX

Alex-ID: agm005144441 · Space group: P4/mbm (#127)

Basic Information

Formula
Tb2AlFe2Co5
Alex-ID
agm005144441
Elements
4
Sites
20
Space group
P4/mbm (#127)
Crystal system
tetragonal
Volume
296.40
ų
Cell a
3.3640
Å
Cell b
9.3866
Å
Cell c
9.3866
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2AlFe2Co5
Tb
4.00 · 20.0%
Al
2.00 · 10.0%
Fe
4.00 · 20.0%
Co
10.00 · 50.0%

Energy & Stability

Energy above hull
0.1941
eV/atom
Formation energy
-0.0427
eV/atom
Corrected total energy
-131.9627
eV
Raw total energy
-131.9627
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
18.1264
Total magnetisation
20.3569
μB

Additional Information

Prototype ID

AB2C2D5_48_spg127

Decomposition

Tb3Fe8Co Tb2AlCo2 Tb3Fe2Co7 AlFeCo2

Computed at

2022-07-14 12:01:48.941127

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005144441).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm005144441
data_agm005144441
_cell_length_a     3.36397
_cell_length_b     9.38664
_cell_length_c     9.38664
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       296.39644
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Tb1 Tb 0.00000 0.67848 0.17848 1.00000
  Tb2 Tb 0.00000 0.32152 0.82152 1.00000
  Tb3 Tb 0.00000 0.17848 0.32152 1.00000
  Tb4 Tb 0.00000 0.82152 0.67848 1.00000
  Al1 Al 0.00000 0.00000 0.00000 1.00000
  Al2 Al 0.00000 0.50000 0.50000 1.00000
  Fe1 Fe 0.00000 0.12111 0.62111 1.00000
  Fe2 Fe 0.00000 0.87889 0.37889 1.00000
  Fe3 Fe 0.00000 0.62111 0.87889 1.00000
  Fe4 Fe 0.00000 0.37889 0.12111 1.00000
  Co1 Co 0.50000 0.20618 0.05904 1.00000
  Co2 Co 0.50000 0.79382 0.94096 1.00000
  Co3 Co 0.50000 0.05904 0.79382 1.00000
  Co4 Co 0.50000 0.70618 0.44096 1.00000
  Co5 Co 0.50000 0.94096 0.20618 1.00000
  Co6 Co 0.50000 0.29382 0.55904 1.00000
  Co7 Co 0.50000 0.55904 0.70618 1.00000
  Co8 Co 0.50000 0.44096 0.29382 1.00000
  Co9 Co 0.50000 0.50000 0.00000 1.00000
  Co10 Co 0.50000 0.00000 0.50000 1.00000
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