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Tb5(HoIn2)2

Alexandria ALEX

Alex-ID: agm005678592 · Space group: P2/m (#10)

Basic Information

Formula
Tb5(HoIn2)2
Alex-ID
agm005678592
Elements
3
Sites
11
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
308.75
ų
Cell a
3.4197
Å
Cell b
8.6167
Å
Cell c
10.5347
Å
α angle
84.06
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb5(HoIn2)2
Tb
5.00 · 45.5%
Ho
2.00 · 18.2%
In
4.00 · 36.4%

Energy & Stability

Energy above hull
0.1269
eV/atom
Formation energy
-0.2413
eV/atom
Corrected total energy
-46.0513
eV
Raw total energy
-46.0513
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.4061
Total magnetisation
0.0063
μB

Additional Information

Prototype ID

A2B4C5_140_spg10

Decomposition

Ho5In3 Tb5In4 Tb2In

Computed at

2023-06-21 16:18:16.418253

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: agm005678592).

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 agm005678592
data_agm005678592
_cell_length_a     3.41966
_cell_length_b     8.61673
_cell_length_c     10.53473
_cell_angle_alpha  84.06364
_cell_angle_beta   89.99999
_cell_angle_gamma  89.99999
_cell_volume       308.75464
_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 0.00000 0.46373 0.33286 1.00000
  Tb2 Tb 1.00000 0.83815 0.14345 1.00000
  Tb3 Tb 0.00000 0.50000 0.00000 1.00000
  Tb4 Tb 0.00000 0.16185 0.85655 1.00000
  Tb5 Tb 1.00000 0.53627 0.66714 1.00000
  Ho1 Ho 0.00000 0.91613 0.63910 1.00000
  Ho2 Ho 1.00000 0.08387 0.36090 1.00000
  In1 In 0.50000 0.24574 0.57603 1.00000
  In2 In 0.50000 0.80053 0.88151 1.00000
  In3 In 0.50000 0.75426 0.42397 1.00000
  In4 In 0.50000 0.19947 0.11849 1.00000
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