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Tb(ErCo2)2

Alexandria ALEX

Alex-ID: agm012486497 · Space group: Immm (#71)

Basic Information

Formula
Tb(ErCo2)2
Alex-ID
agm012486497
Elements
3
Sites
7
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
130.08
ų
Cell a
8.7415
Å
Cell b
8.7415
Å
Cell c
8.7415
Å
α angle
153.21
°
β angle
154.36
°
γ angle
37.42
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb(ErCo2)2
Tb
1.00 · 14.3%
Er
2.00 · 28.6%
Co
4.00 · 57.1%

Energy & Stability

Energy above hull
0.0082
eV/atom
Formation energy
-0.2109
eV/atom
Corrected total energy
-43.7295
eV
Raw total energy
-43.7295
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0029
eV
DOS at Fermi level
6.2046
Total magnetisation
2.2961
μB

Additional Information

Prototype ID

AB2C4_74_spg44

Decomposition

Er3Co4 ErCo2 TbCo

Computed at

2025-04-18 00:14:52

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: agm012486497).

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 agm012486497
data_agm012486497
_cell_length_a     8.74152
_cell_length_b     8.74152
_cell_length_c     8.74152
_cell_angle_alpha  153.20824
_cell_angle_beta   154.36383
_cell_angle_gamma  37.41927
_cell_volume       130.07656
_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 0.00000 0.50000 1.00000
  Er1 Er 0.81331 0.81331 0.00000 1.00000
  Er2 Er 0.18669 0.18669 0.00000 1.00000
  Co1 Co 0.63568 0.63568 0.00000 1.00000
  Co2 Co 0.36432 0.36432 0.00000 1.00000
  Co3 Co 0.06876 0.56876 0.50000 1.00000
  Co4 Co 0.93124 0.43124 0.50000 1.00000
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