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TbGa4Co3Ge

Alexandria ALEX

Alex-ID: agm085669502 · Space group: P6/mmm (#191)

Alexandria Database API

Basic Information

Formula
TbGa4Co3Ge
Alex-ID
agm085669502
Elements
4
Sites
9
Space group
P6/mmm (#191)
Crystal system
hexagonal
Volume
142.67
ų
Cell a
5.0726
Å
Cell b
5.0726
Å
Cell c
6.4023
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbGa4Co3Ge
Tb
1.00 · 11.1%
Ga
4.00 · 44.4%
Co
3.00 · 33.3%
Ge
1.00 · 11.1%

Energy & Stability

Energy above hull
0.2195
eV/atom
Formation energy
-0.2300
eV/atom
Corrected total energy
-44.8081
eV
Raw total energy
-44.8081
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0281
eV
DOS at Fermi level
8.8758
Total magnetisation
-0.0006
μB

Additional Information

Prototype ID

ABC3D4_266_spg8

Decomposition

Ga6Co5 TbGa2(CoGe)4 Tb(CoGe)2 Tb2(Ga3Co)3

Computed at

2025-02-23 00:08:13

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: agm085669502).

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 agm085669502
data_agm085669502
_cell_length_a     5.07259
_cell_length_b     5.07259
_cell_length_c     6.40225
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       142.66672
_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 0.00000 0.00000 1.00000
  Ga1 Ga 0.33333 0.66667 0.79948 1.00000
  Ga2 Ga 0.66667 0.33333 0.20052 1.00000
  Ga3 Ga 0.66667 0.33333 0.79948 1.00000
  Ga4 Ga 0.33333 0.66667 0.20052 1.00000
  Co1 Co 0.00000 0.50000 0.50000 1.00000
  Co2 Co 0.50000 0.00000 0.50000 1.00000
  Co3 Co 0.50000 0.50000 0.50000 1.00000
  Ge1 Ge 0.00000 0.00000 0.50000 1.00000
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