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Tb8Ho3

Alexandria ALEX

Alex-ID: agm007806508 · Space group: C2/m (#12)

Basic Information

Formula
Tb8Ho3
Alex-ID
agm007806508
Elements
2
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
345.80
ų
Cell a
6.1336
Å
Cell b
6.1336
Å
Cell c
16.6185
Å
α angle
90.02
°
β angle
90.02
°
γ angle
33.58
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb8Ho3
Tb
8.00 · 72.7%
Ho
3.00 · 27.3%

Energy & Stability

Energy above hull
0.0221
eV/atom
Formation energy
0.0176
eV/atom
Corrected total energy
-50.6009
eV
Raw total energy
-50.6009
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
15.1747
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B8_97_spg12

Decomposition

Tb5Ho Tb2Ho

Computed at

2024-05-15 21:30:30.125370

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: agm007806508).

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 agm007806508
data_agm007806508
_cell_length_a     6.13362
_cell_length_b     6.13362
_cell_length_c     16.61845
_cell_angle_alpha  90.02168
_cell_angle_beta   90.02168
_cell_angle_gamma  33.57925
_cell_volume       345.79560
_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 0.72711 0.72711 0.90908 1.00000
  Tb2 Tb 0.27289 0.27289 0.09092 1.00000
  Tb3 Tb 0.54535 0.54535 0.18183 1.00000
  Tb4 Tb 0.45465 0.45465 0.81817 1.00000
  Tb5 Tb 0.81784 0.81784 0.27287 1.00000
  Tb6 Tb 0.18216 0.18216 0.72713 1.00000
  Tb7 Tb 0.63626 0.63626 0.54533 1.00000
  Tb8 Tb 0.36374 0.36374 0.45467 1.00000
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
  Ho2 Ho 0.90922 0.90922 0.63613 1.00000
  Ho3 Ho 0.09078 0.09078 0.36387 1.00000
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