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Tb6Eu

Alexandria ALEX

Alex-ID: agm005406801 · Space group: Im-3m (#229)

Basic Information

Formula
Tb6Eu
Alex-ID
agm005406801
Elements
2
Sites
7
Space group
Im-3m (#229)
Crystal system
cubic
Volume
277.84
ų
Cell a
7.1199
Å
Cell b
7.1199
Å
Cell c
7.1199
Å
α angle
109.47
°
β angle
109.47
°
γ angle
109.47
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb6Eu
Tb
6.00 · 85.7%
Eu
1.00 · 14.3%

Energy & Stability

Energy above hull
1.3054
eV/atom
Formation energy
1.3054
eV/atom
Corrected total energy
-28.9308
eV
Raw total energy
-28.9308
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0023
eV
DOS at Fermi level
18.5854
Total magnetisation
-7.0341
μB

Additional Information

Prototype ID

AB6_105_spg229

Decomposition

Eu Tb

Computed at

2022-12-15 16:20:06.932129

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: agm005406801).

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 agm005406801
data_agm005406801
_cell_length_a     7.11986
_cell_length_b     7.11986
_cell_length_c     7.11986
_cell_angle_alpha  109.47122
_cell_angle_beta   109.47122
_cell_angle_gamma  109.47122
_cell_volume       277.83886
_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 0.25000 0.75000 0.50000 1.00000
  Tb2 Tb 0.50000 0.75000 0.25000 1.00000
  Tb3 Tb 0.25000 0.50000 0.75000 1.00000
  Tb4 Tb 0.75000 0.25000 0.50000 1.00000
  Tb5 Tb 0.50000 0.25000 0.75000 1.00000
  Tb6 Tb 0.75000 0.50000 0.25000 1.00000
  Eu1 Eu 0.00000 0.00000 0.00000 1.00000
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