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Tb5Pt2

Alexandria ALEX

Alex-ID: agm003288232 · Space group: C2/c (#15)

Basic Information

Formula
Tb5Pt2
Alex-ID
agm003288232
Elements
2
Sites
14
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
383.39
ų
Cell a
6.6067
Å
Cell b
7.0936
Å
Cell c
8.8707
Å
α angle
96.13
°
β angle
111.82
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb5Pt2
Tb
10.00 · 71.4%
Pt
4.00 · 28.6%

Energy & Stability

Energy above hull
0.0041
eV/atom
Formation energy
-0.7843
eV/atom
Corrected total energy
-81.6559
eV
Raw total energy
-81.6559
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0002
eV
DOS at Fermi level
16.0369
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5_42_spg15

Decomposition

Tb3Pt Tb2Pt

Computed at

2022-01-15 21:41:50.494015

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: agm003288232).

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 agm003288232
data_agm003288232
_cell_length_a     6.60670
_cell_length_b     7.09364
_cell_length_c     8.87069
_cell_angle_alpha  96.13103
_cell_angle_beta   111.81769
_cell_angle_gamma  89.99957
_cell_volume       383.38909
_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 0.20712 0.42630 0.18876 1.00000
  Tb2 Tb 0.01849 0.07374 0.81136 1.00000
  Tb3 Tb 0.21334 0.68853 0.56014 1.00000
  Tb4 Tb 0.65348 0.81155 0.44005 1.00000
  Tb5 Tb 0.78666 0.31147 0.43986 1.00000
  Tb6 Tb 0.34652 0.18845 0.55995 1.00000
  Tb7 Tb 0.98151 0.92626 0.18864 1.00000
  Tb8 Tb 0.79288 0.57370 0.81124 1.00000
  Tb9 Tb 0.56431 0.25001 0.99991 1.00000
  Tb10 Tb 0.43569 0.74999 0.00009 1.00000
  Pt1 Pt 0.18124 0.42886 0.77698 1.00000
  Pt2 Pt 0.40431 0.07110 0.22311 1.00000
  Pt3 Pt 0.81876 0.57114 0.22302 1.00000
  Pt4 Pt 0.59569 0.92890 0.77689 1.00000
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