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Tb2Co5Ge4

Alexandria ALEX

Alex-ID: agm003365296 · Space group: Fmmm (#69)

Basic Information

Formula
Tb2Co5Ge4
Alex-ID
agm003365296
Elements
3
Sites
11
Space group
Fmmm (#69)
Crystal system
orthorhombic
Volume
172.78
ų
Cell a
5.3826
Å
Cell b
5.3582
Å
Cell c
7.4325
Å
α angle
79.52
°
β angle
68.77
°
γ angle
59.85
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2Co5Ge4
Tb
2.00 · 18.2%
Co
5.00 · 45.5%
Ge
4.00 · 36.4%

Energy & Stability

Energy above hull
0.0875
eV/atom
Formation energy
-0.4659
eV/atom
Corrected total energy
-68.4779
eV
Raw total energy
-68.4779
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.5330
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

A2B4C5_154_spg69

Decomposition

Tb(CoGe)2 Co

Computed at

2022-02-05 01:32:52.362363

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: agm003365296).

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 agm003365296
data_agm003365296
_cell_length_a     5.38258
_cell_length_b     5.35822
_cell_length_c     7.43250
_cell_angle_alpha  79.52121
_cell_angle_beta   68.77094
_cell_angle_gamma  59.84954
_cell_volume       172.78159
_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 0.87037 1.00000 0.25927 1.00000
  Tb2 Tb 0.12963 0.00000 0.74073 1.00000
  Co1 Co 0.50000 0.00000 0.00000 1.00000
  Co2 Co 0.00000 0.50000 0.00000 1.00000
  Co3 Co 0.50000 0.50000 0.00000 1.00000
  Co4 Co 0.25000 0.50000 0.50000 1.00000
  Co5 Co 0.75000 0.50000 0.50000 1.00000
  Ge1 Ge 0.47383 0.31315 0.73918 1.00000
  Ge2 Ge 0.52617 0.68685 0.26082 1.00000
  Ge3 Ge 0.21302 0.31315 0.26082 1.00000
  Ge4 Ge 0.78698 0.68685 0.73918 1.00000
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