Navigation

HEAS Data Platform · Materials Science Database

Tb5Ge2Pt

Alexandria ALEX

Alex-ID: agm047843680 · Space group: Pbam (#55)

Alexandria Database API

Basic Information

Formula
Tb5Ge2Pt
Alex-ID
agm047843680
Elements
3
Sites
16
Space group
Pbam (#55)
Crystal system
orthorhombic
Volume
411.57
ų
Cell a
4.4039
Å
Cell b
7.7628
Å
Cell c
12.0388
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb5Ge2Pt
Tb
10.00 · 62.5%
Ge
4.00 · 25.0%
Pt
2.00 · 12.5%

Energy & Stability

Energy above hull
0.0402
eV/atom
Formation energy
-0.8219
eV/atom
Corrected total energy
-90.1185
eV
Raw total energy
-90.1185
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.8138
Total magnetisation
0.0004
μB

Additional Information

Prototype ID

AB2C5_20_spg55

Decomposition

Tb5Pt3 Tb5Ge3

Computed at

2025-02-04 14:27:46

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: agm047843680).

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 agm047843680
data_agm047843680
_cell_length_a     4.40392
_cell_length_b     7.76276
_cell_length_c     12.03884
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       411.56623
_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 0.81185 0.57473 1.00000
  Tb2 Tb 0.00000 0.18815 0.42527 1.00000
  Tb3 Tb 0.00000 0.31185 0.92527 1.00000
  Tb4 Tb 0.00000 0.68815 0.07473 1.00000
  Tb5 Tb 0.50000 0.33772 0.21211 1.00000
  Tb6 Tb 0.50000 0.66228 0.78789 1.00000
  Tb7 Tb 0.50000 0.83772 0.28789 1.00000
  Tb8 Tb 0.50000 0.16228 0.71211 1.00000
  Tb9 Tb 0.50000 0.00000 0.00000 1.00000
  Tb10 Tb 0.50000 0.50000 0.50000 1.00000
  Ge1 Ge 0.00000 0.93977 0.82909 1.00000
  Ge2 Ge 0.00000 0.06023 0.17091 1.00000
  Ge3 Ge 0.00000 0.56023 0.32909 1.00000
  Ge4 Ge 0.00000 0.43977 0.67091 1.00000
  Pt1 Pt 0.50000 0.50000 0.00000 1.00000
  Pt2 Pt 0.50000 0.00000 0.50000 1.00000
Get direct link