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TbCdGe

Alexandria ALEX

Alex-ID: agm005672954 · Space group: C2/m (#12)

Basic Information

Formula
TbCdGe
Alex-ID
agm005672954
Elements
3
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
136.18
ų
Cell a
4.3177
Å
Cell b
5.7942
Å
Cell c
6.3633
Å
α angle
72.51
°
β angle
70.17
°
γ angle
68.12
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbCdGe
Tb
2.00 · 33.3%
Cd
2.00 · 33.3%
Ge
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0738
eV/atom
Formation energy
-0.5373
eV/atom
Corrected total energy
-23.5701
eV
Raw total energy
-23.5701
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.1315
eV
DOS at Fermi level
2.6847
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_75_spg12

Decomposition

Tb2CdGe2 Cd

Computed at

2023-06-17 11:06:54.501739

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: agm005672954).

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 agm005672954
data_agm005672954
_cell_length_a     4.31770
_cell_length_b     5.79424
_cell_length_c     6.36330
_cell_angle_alpha  72.50718
_cell_angle_beta   70.16785
_cell_angle_gamma  68.12486
_cell_volume       136.17664
_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 0.43334 0.30759 0.82573 1.00000
  Tb2 Tb 0.56666 0.69241 0.17427 1.00000
  Cd1 Cd 0.83882 0.74621 0.57616 1.00000
  Cd2 Cd 0.16118 0.25379 0.42384 1.00000
  Ge1 Ge 0.84778 0.13123 0.17322 1.00000
  Ge2 Ge 0.15222 0.86877 0.82678 1.00000
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