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TbCoCu

Alexandria ALEX

Alex-ID: agm005604231 · Space group: Imma (#74)

Basic Information

Formula
TbCoCu
Alex-ID
agm005604231
Elements
3
Sites
6
Space group
Imma (#74)
Crystal system
orthorhombic
Volume
109.45
ų
Cell a
3.8528
Å
Cell b
4.0474
Å
Cell c
7.5500
Å
α angle
105.55
°
β angle
104.65
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbCoCu
Tb
2.00 · 33.3%
Co
2.00 · 33.3%
Cu
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0345
eV/atom
Formation energy
-0.1621
eV/atom
Corrected total energy
-32.8045
eV
Raw total energy
-32.8045
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0151
eV
DOS at Fermi level
4.4326
Total magnetisation
1.2188
μB

Additional Information

Prototype ID

ABC_13_spg8

Decomposition

Tb2Co3 TbCo3 TbCu2

Computed at

2023-06-17 05:27:48.147464

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: agm005604231).

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 agm005604231
data_agm005604231
_cell_length_a     3.85279
_cell_length_b     4.04737
_cell_length_c     7.54999
_cell_angle_alpha  105.54757
_cell_angle_beta   104.64762
_cell_angle_gamma  89.99999
_cell_volume       109.44719
_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 0.63379 0.88354 0.76707 1.00000
  Tb2 Tb 0.36621 0.11646 0.23293 1.00000
  Co1 Co 0.21525 0.46495 0.92990 1.00000
  Co2 Co 0.78475 0.53505 0.07010 1.00000
  Cu1 Cu 0.04690 0.29594 0.59189 1.00000
  Cu2 Cu 0.95310 0.70406 0.40811 1.00000
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