Navigation

HEAS Data Platform · Materials Science Database

Tb2CoGe2

Alexandria ALEX

Alex-ID: agm005508277 · Space group: C2/m (#12)

Basic Information

Formula
Tb2CoGe2
Alex-ID
agm005508277
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
211.10
ų
Cell a
7.1728
Å
Cell b
7.1728
Å
Cell c
7.4673
Å
α angle
81.47
°
β angle
81.47
°
γ angle
33.79
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2CoGe2
Tb
4.00 · 40.0%
Co
2.00 · 20.0%
Ge
4.00 · 40.0%

Energy & Stability

Energy above hull
0.1339
eV/atom
Formation energy
-0.6101
eV/atom
Corrected total energy
-57.3470
eV
Raw total energy
-57.3470
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0081
eV
DOS at Fermi level
7.6406
Total magnetisation
2.2119
μB

Additional Information

Prototype ID

AB2C2_1057_spg12

Decomposition

Tb2CoGe2

Computed at

2023-03-20 05:17:44.801278

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: agm005508277).

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 agm005508277
data_agm005508277
_cell_length_a     7.17276
_cell_length_b     7.17276
_cell_length_c     7.46732
_cell_angle_alpha  81.47152
_cell_angle_beta   81.47152
_cell_angle_gamma  33.79318
_cell_volume       211.09859
_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 0.63799 0.63799 0.41808 1.00000
  Tb2 Tb 0.13216 0.13216 0.99207 1.00000
  Tb3 Tb 0.86784 0.86784 0.00793 1.00000
  Tb4 Tb 0.36201 0.36201 0.58192 1.00000
  Co1 Co 0.47081 0.47081 0.16650 1.00000
  Co2 Co 0.52919 0.52919 0.83350 1.00000
  Ge1 Ge 0.01436 0.01436 0.66870 1.00000
  Ge2 Ge 0.27822 0.27822 0.25068 1.00000
  Ge3 Ge 0.72178 0.72178 0.74932 1.00000
  Ge4 Ge 0.98564 0.98564 0.33130 1.00000
Get direct link