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TbFe2Pt5

Alexandria ALEX

Alex-ID: agm038611237 · Space group: I4/mmm (#139)

Basic Information

Formula
TbFe2Pt5
Alex-ID
agm038611237
Elements
3
Sites
8
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
127.47
ų
Cell a
8.2959
Å
Cell b
8.2959
Å
Cell c
8.2959
Å
α angle
151.77
°
β angle
151.77
°
γ angle
40.35
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbFe2Pt5
Tb
1.00 · 12.5%
Fe
2.00 · 25.0%
Pt
5.00 · 62.5%

Energy & Stability

Energy above hull
0.0328
eV/atom
Formation energy
-0.5604
eV/atom
Corrected total energy
-56.4810
eV
Raw total energy
-56.4810
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0079
eV
DOS at Fermi level
5.3992
Total magnetisation
7.0286
μB

Additional Information

Prototype ID

AB2C5_14_spg139

Decomposition

FePt TbPt3

Computed at

2025-07-01 19:59:14

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: agm038611237).

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 agm038611237
data_agm038611237
_cell_length_a     8.29591
_cell_length_b     8.29591
_cell_length_c     8.29591
_cell_angle_alpha  151.77181
_cell_angle_beta   151.77181
_cell_angle_gamma  40.34662
_cell_volume       127.47216
_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
  Fe1 Fe 0.25024 0.25024 0.00000 1.00000
  Fe2 Fe 0.74976 0.74976 0.00000 1.00000
  Pt1 Pt 0.50000 0.50000 0.00000 1.00000
  Pt2 Pt 0.13915 0.63915 0.50000 1.00000
  Pt3 Pt 0.63915 0.13915 0.50000 1.00000
  Pt4 Pt 0.86085 0.36085 0.50000 1.00000
  Pt5 Pt 0.36085 0.86085 0.50000 1.00000
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