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TbZnGe

Alexandria ALEX

Alex-ID: agm070397232 · Space group: I4_1md (#109)

Basic Information

Formula
TbZnGe
Alex-ID
agm070397232
Elements
3
Sites
6
Space group
I4_1md (#109)
Crystal system
tetragonal
Volume
124.56
ų
Cell a
4.1341
Å
Cell b
4.1341
Å
Cell c
7.8503
Å
α angle
74.76
°
β angle
105.24
°
γ angle
90.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbZnGe
Tb
2.00 · 33.3%
Zn
2.00 · 33.3%
Ge
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0366
eV/atom
Formation energy
-0.6404
eV/atom
Corrected total energy
-24.8983
eV
Raw total energy
-24.8983
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.4248
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_535_spg109

Decomposition

TbZnGe

Computed at

2025-04-16 05:53:15

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: agm070397232).

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 agm070397232
data_agm070397232
_cell_length_a     4.13407
_cell_length_b     4.13407
_cell_length_c     7.85033
_cell_angle_alpha  74.76106
_cell_angle_beta   105.23894
_cell_angle_gamma  90.01410
_cell_volume       124.55530
_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 0.74817 0.00145 0.49758 1.00000
  Tb2 Tb 0.99855 0.25183 0.99758 1.00000
  Zn1 Zn 0.41780 0.83445 0.83193 1.00000
  Zn2 Zn 0.16555 0.58220 0.33193 1.00000
  Ge1 Ge 0.32941 0.41910 0.66256 1.00000
  Ge2 Ge 0.58090 0.67059 0.16256 1.00000
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