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Tb4CdFe

Alexandria ALEX

Alex-ID: agm005804987 · Space group: C2/c (#15)

Basic Information

Formula
Tb4CdFe
Alex-ID
agm005804987
Elements
3
Sites
12
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
320.82
ų
Cell a
6.0945
Å
Cell b
7.6563
Å
Cell c
7.6563
Å
α angle
110.29
°
β angle
99.49
°
γ angle
99.49
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb4CdFe
Tb
8.00 · 66.7%
Cd
2.00 · 16.7%
Fe
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0349
eV/atom
Formation energy
-0.1034
eV/atom
Corrected total energy
-57.0724
eV
Raw total energy
-57.0724
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0208
eV
DOS at Fermi level
13.3399
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_1160_spg15

Decomposition

Tb10Cd3Fe Tb TbFe2

Computed at

2023-07-28 05:43:03.729714

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: agm005804987).

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 agm005804987
data_agm005804987
_cell_length_a     6.09447
_cell_length_b     7.65627
_cell_length_c     7.65627
_cell_angle_alpha  110.29157
_cell_angle_beta   99.49441
_cell_angle_gamma  99.49439
_cell_volume       320.81641
_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 0.89276 0.63531 0.80080 1.00000
  Tb2 Tb 0.04361 0.94136 0.26660 1.00000
  Tb3 Tb 0.60724 0.19920 0.36469 1.00000
  Tb4 Tb 0.45639 0.73340 0.05864 1.00000
  Tb5 Tb 0.54361 0.26660 0.94136 1.00000
  Tb6 Tb 0.39276 0.80080 0.63531 1.00000
  Tb7 Tb 0.95639 0.05864 0.73340 1.00000
  Tb8 Tb 0.10724 0.36469 0.19920 1.00000
  Cd1 Cd 0.75000 0.62573 0.37427 1.00000
  Cd2 Cd 0.25000 0.37427 0.62573 1.00000
  Fe1 Fe 0.25000 0.99875 0.00125 1.00000
  Fe2 Fe 0.75000 0.00125 0.99875 1.00000
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