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TbTm4Co

Alexandria ALEX

Alex-ID: agm005882814 · Space group: P4/mmm (#123)

Basic Information

Formula
TbTm4Co
Alex-ID
agm005882814
Elements
3
Sites
6
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
184.43
ų
Cell a
4.5974
Å
Cell b
4.5935
Å
Cell c
8.7331
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbTm4Co
Tb
1.00 · 16.7%
Tm
4.00 · 66.7%
Co
1.00 · 16.7%

Energy & Stability

Energy above hull
0.3749
eV/atom
Formation energy
0.2429
eV/atom
Corrected total energy
-28.1848
eV
Raw total energy
-28.1848
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0071
eV
DOS at Fermi level
5.6199
Total magnetisation
0.3285
μB

Additional Information

Prototype ID

ABC4_1257_spg10

Decomposition

Tb5Tm4 TbTm5 Tm3Co

Computed at

2023-07-28 02:23:32.827928

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: agm005882814).

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 agm005882814
data_agm005882814
_cell_length_a     4.59740
_cell_length_b     4.59348
_cell_length_c     8.73313
_cell_angle_alpha  89.99932
_cell_angle_beta   90.00071
_cell_angle_gamma  90.00000
_cell_volume       184.42674
_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 0.50000 0.99999 0.31893 1.00000
  Tm2 Tm 0.00000 0.50000 0.31898 1.00000
  Tm3 Tm 1.00000 0.50000 0.68102 1.00000
  Tm4 Tm 0.50000 0.00000 0.68107 1.00000
  Co1 Co 0.50000 0.50000 0.50000 1.00000
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