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Tb3HoCd

Alexandria ALEX

Alex-ID: agm005773121 · Space group: C2/m (#12)

Basic Information

Formula
Tb3HoCd
Alex-ID
agm005773121
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
297.70
ų
Cell a
3.6502
Å
Cell b
5.4887
Å
Cell c
14.9715
Å
α angle
89.50
°
β angle
97.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb3HoCd
Tb
6.00 · 60.0%
Ho
2.00 · 20.0%
Cd
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0091
eV/atom
Formation energy
-0.1241
eV/atom
Corrected total energy
-40.0390
eV
Raw total energy
-40.0390
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0140
eV
DOS at Fermi level
11.9497
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC3_6235_spg63

Decomposition

TbHoCd Tb2Ho Tb2Cd

Computed at

2023-07-03 06:10:39.779682

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: agm005773121).

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 agm005773121
data_agm005773121
_cell_length_a     3.65017
_cell_length_b     5.48873
_cell_length_c     14.97146
_cell_angle_alpha  89.50159
_cell_angle_beta   97.00202
_cell_angle_gamma  90.00000
_cell_volume       297.70174
_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 0.05149 0.26135 0.10298 1.00000
  Tb2 Tb 0.94851 0.73865 0.89702 1.00000
  Tb3 Tb 0.33884 0.74600 0.67768 1.00000
  Tb4 Tb 0.66116 0.25400 0.32232 1.00000
  Tb5 Tb 0.12920 0.75591 0.25840 1.00000
  Tb6 Tb 0.87080 0.24409 0.74160 1.00000
  Ho1 Ho 0.73308 0.75082 0.46616 1.00000
  Ho2 Ho 0.26692 0.24918 0.53384 1.00000
  Cd1 Cd 0.53855 0.76359 0.07710 1.00000
  Cd2 Cd 0.46145 0.23641 0.92290 1.00000
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