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Tb2InGe2

Alexandria ALEX

Alex-ID: agm003392964 · Space group: Cmmm (#65)

Basic Information

Formula
Tb2InGe2
Alex-ID
agm003392964
Elements
3
Sites
5
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
119.18
ų
Cell a
4.1373
Å
Cell b
3.8947
Å
Cell c
7.6485
Å
α angle
104.75
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2InGe2
Tb
2.00 · 40.0%
In
1.00 · 20.0%
Ge
2.00 · 40.0%

Energy & Stability

Energy above hull
0.0691
eV/atom
Formation energy
-0.6451
eV/atom
Corrected total energy
-24.4945
eV
Raw total energy
-24.4945
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.8851
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_4_spg65

Decomposition

TbIn3 Tb3Ge4 TbGe

Computed at

2022-02-10 14:09:40.193831

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: agm003392964).

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 agm003392964
data_agm003392964
_cell_length_a     4.13732
_cell_length_b     3.89471
_cell_length_c     7.64847
_cell_angle_alpha  104.75029
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       119.18310
_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 0.50000 0.63639 0.27278 1.00000
  Tb2 Tb 0.50000 0.36361 0.72722 1.00000
  In1 In 0.00000 0.00000 0.00000 1.00000
  Ge1 Ge 0.00000 0.19460 0.38919 1.00000
  Ge2 Ge 0.00000 0.80540 0.61081 1.00000
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