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Tb(AlPt)2

Alexandria ALEX

Alex-ID: agm002328232 · Space group: P4/nmm (#129)

Basic Information

Formula
Tb(AlPt)2
Alex-ID
agm002328232
Elements
3
Sites
10
Space group
P4/nmm (#129)
Crystal system
tetragonal
Volume
185.16
ų
Cell a
4.1325
Å
Cell b
4.1325
Å
Cell c
10.8423
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb(AlPt)2
Tb
2.00 · 20.0%
Al
4.00 · 40.0%
Pt
4.00 · 40.0%

Energy & Stability

Energy above hull
0.0078
eV/atom
Formation energy
-1.1090
eV/atom
Corrected total energy
-59.6892
eV
Raw total energy
-59.6892
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.0695
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_8_spg129

Decomposition

Tb3Al6Pt5 TbAl5Pt3 Tb2Al3Pt4

Computed at

2019-02-09 14:06:50

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: agm002328232).

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 agm002328232
data_agm002328232
_cell_length_a     4.13248
_cell_length_b     4.13248
_cell_length_c     10.84225
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       185.15703
_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 0.75000 0.75000 0.74713 1.00000
  Tb2 Tb 0.25000 0.25000 0.25288 1.00000
  Al1 Al 0.75000 0.75000 0.13237 1.00000
  Al2 Al 0.75000 0.25000 0.50000 1.00000
  Al3 Al 0.25000 0.25000 0.86764 1.00000
  Al4 Al 0.25000 0.75000 0.50000 1.00000
  Pt1 Pt 0.25000 0.25000 0.63810 1.00000
  Pt2 Pt 0.25000 0.75000 0.00001 1.00000
  Pt3 Pt 0.75000 0.25000 0.00001 1.00000
  Pt4 Pt 0.75000 0.75000 0.36190 1.00000
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