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Tb8CeHo2

Alexandria ALEX

Alex-ID: agm005994093 · Space group: C2/m (#12)

Basic Information

Formula
Tb8CeHo2
Alex-ID
agm005994093
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
348.61
ų
Cell a
5.0210
Å
Cell b
7.9426
Å
Cell c
9.4020
Å
α angle
104.68
°
β angle
105.49
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb8CeHo2
Tb
8.00 · 72.7%
Ce
1.00 · 9.1%
Ho
2.00 · 18.2%

Energy & Stability

Energy above hull
0.0414
eV/atom
Formation energy
0.0381
eV/atom
Corrected total energy
-51.7302
eV
Raw total energy
-51.7302
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0071
eV
DOS at Fermi level
17.5382
Total magnetisation
1.0163
μB

Additional Information

Prototype ID

AB2C8_278_spg12

Decomposition

Tb5Ho Tb2Ho Ce

Computed at

2023-09-25 11:58:44

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: agm005994093).

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 agm005994093
data_agm005994093
_cell_length_a     5.02103
_cell_length_b     7.94262
_cell_length_c     9.40203
_cell_angle_alpha  104.68429
_cell_angle_beta   105.48694
_cell_angle_gamma  89.99999
_cell_volume       348.61496
_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 0.59098 0.45450 0.18197 1.00000
  Tb2 Tb 0.31940 0.09138 0.63879 1.00000
  Tb3 Tb 0.13615 0.18170 0.27231 1.00000
  Tb4 Tb 0.04515 0.73058 0.09030 1.00000
  Tb5 Tb 0.86385 0.81830 0.72769 1.00000
  Tb6 Tb 0.68060 0.90862 0.36121 1.00000
  Tb7 Tb 0.40902 0.54550 0.81803 1.00000
  Tb8 Tb 0.95485 0.26942 0.90970 1.00000
  Ce1 Ce 0.50000 0.00000 0.00000 1.00000
  Ho1 Ho 0.22844 0.63676 0.45687 1.00000
  Ho2 Ho 0.77156 0.36324 0.54313 1.00000
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