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TbTmCo4

Alexandria ALEX

Alex-ID: agm069955862 · Space group: I-4m2 (#119)

Basic Information

Formula
TbTmCo4
Alex-ID
agm069955862
Elements
3
Sites
6
Space group
I-4m2 (#119)
Crystal system
tetragonal
Volume
101.89
ų
Cell a
7.1689
Å
Cell b
7.1689
Å
Cell c
7.1689
Å
α angle
148.21
°
β angle
148.21
°
γ angle
45.57
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbTmCo4
Tb
1.00 · 16.7%
Tm
1.00 · 16.7%
Co
4.00 · 66.7%

Energy & Stability

Energy above hull
0.0472
eV/atom
Formation energy
-0.1646
eV/atom
Corrected total energy
-38.5863
eV
Raw total energy
-38.5863
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0090
eV
DOS at Fermi level
6.4027
Total magnetisation
3.1315
μB

Additional Information

Prototype ID

ABC4_479_spg119

Decomposition

TbTmCo4

Computed at

2025-04-16 13:57:02

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: agm069955862).

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 agm069955862
data_agm069955862
_cell_length_a     7.16893
_cell_length_b     7.16893
_cell_length_c     7.16893
_cell_angle_alpha  148.21493
_cell_angle_beta   148.21493
_cell_angle_gamma  45.56819
_cell_volume       101.88588
_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
  Tm1 Tm 0.25000 0.75000 0.50000 1.00000
  Co1 Co 0.66632 0.16632 0.50000 1.00000
  Co2 Co 0.58503 0.58503 0.00000 1.00000
  Co3 Co 0.83368 0.33368 0.50000 1.00000
  Co4 Co 0.41497 0.41497 0.00000 1.00000
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