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Tb3TmGe4

Alexandria ALEX

Alex-ID: agm003550007 · Space group: Immm (#71)

Alexandria Database API

Basic Information

Formula
Tb3TmGe4
Alex-ID
agm003550007
Elements
3
Sites
8
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
201.16
ų
Cell a
4.0305
Å
Cell b
6.3475
Å
Cell c
8.7155
Å
α angle
111.36
°
β angle
103.37
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb3TmGe4
Tb
3.00 · 37.5%
Tm
1.00 · 12.5%
Ge
4.00 · 50.0%

Energy & Stability

Energy above hull
0.1901
eV/atom
Formation energy
-0.6788
eV/atom
Corrected total energy
-42.2682
eV
Raw total energy
-42.2682
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0540
eV
DOS at Fermi level
6.2124
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C4_353_spg71

Decomposition

Tb3TmGe4

Computed at

2022-03-22 13:25:49.431060

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: agm003550007).

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 agm003550007
data_agm003550007
_cell_length_a     4.03050
_cell_length_b     6.34754
_cell_length_c     8.71547
_cell_angle_alpha  111.35787
_cell_angle_beta   103.36933
_cell_angle_gamma  90.00000
_cell_volume       201.15967
_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 0.50000 0.00000 1.00000
  Tb2 Tb 0.19541 0.19524 0.39083 1.00000
  Tb3 Tb 0.80459 0.80476 0.60917 1.00000
  Tm1 Tm 0.50000 0.00000 0.00000 1.00000
  Ge1 Ge 0.36941 0.56417 0.73882 1.00000
  Ge2 Ge 0.63059 0.43583 0.26118 1.00000
  Ge3 Ge 0.63052 0.82494 0.26103 1.00000
  Ge4 Ge 0.36948 0.17506 0.73897 1.00000
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