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Tb(HoCo2)2

Alexandria ALEX

Alex-ID: agm013754855 · Space group: Immm (#71)

Basic Information

Formula
Tb(HoCo2)2
Alex-ID
agm013754855
Elements
3
Sites
7
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
130.61
ų
Cell a
8.7830
Å
Cell b
8.7830
Å
Cell c
4.0303
Å
α angle
76.71
°
β angle
103.29
°
γ angle
154.39
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb(HoCo2)2
Tb
1.00 · 14.3%
Ho
2.00 · 28.6%
Co
4.00 · 57.1%

Energy & Stability

Energy above hull
0.0009
eV/atom
Formation energy
-0.2050
eV/atom
Corrected total energy
-43.7196
eV
Raw total energy
-43.7196
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0142
eV
DOS at Fermi level
5.3639
Total magnetisation
2.1090
μB

Additional Information

Prototype ID

AB2C4_74_spg44

Decomposition

HoCo2 HoCo TbCo

Computed at

2025-04-17 23:58:47

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: agm013754855).

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 agm013754855
data_agm013754855
_cell_length_a     8.78296
_cell_length_b     8.78296
_cell_length_c     4.03025
_cell_angle_alpha  76.70965
_cell_angle_beta   103.29035
_cell_angle_gamma  154.38599
_cell_volume       130.61346
_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 0.50000 0.50000 0.00000 1.00000
  Ho1 Ho 0.81353 0.18647 0.81352 1.00000
  Ho2 Ho 0.18647 0.81353 0.18648 1.00000
  Co1 Co 0.63520 0.36480 0.63529 1.00000
  Co2 Co 0.36480 0.63520 0.36471 1.00000
  Co3 Co 0.06824 0.93176 0.56824 1.00000
  Co4 Co 0.93176 0.06824 0.43176 1.00000
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