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Tb3(HoIn)4

Alexandria ALEX

Alex-ID: agm003379746 · Space group: Immm (#71)

Basic Information

Formula
Tb3(HoIn)4
Alex-ID
agm003379746
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
331.63
ų
Cell a
4.8175
Å
Cell b
8.3090
Å
Cell c
9.5761
Å
α angle
115.71
°
β angle
104.57
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb3(HoIn)4
Tb
3.00 · 27.3%
Ho
4.00 · 36.4%
In
4.00 · 36.4%

Energy & Stability

Energy above hull
0.1808
eV/atom
Formation energy
-0.1873
eV/atom
Corrected total energy
-45.3494
eV
Raw total energy
-45.3494
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.4848
Total magnetisation
0.0011
μB

Additional Information

Prototype ID

A3B4C4_1_spg71

Decomposition

Ho5In3 Tb5In4 Tb2In

Computed at

2022-02-09 03:28:53.079441

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: agm003379746).

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 agm003379746
data_agm003379746
_cell_length_a     4.81754
_cell_length_b     8.30898
_cell_length_c     9.57606
_cell_angle_alpha  115.71158
_cell_angle_beta   104.56872
_cell_angle_gamma  90.00000
_cell_volume       331.63336
_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 0.11681 0.11681 0.23362 1.00000
  Tb2 Tb 0.88319 0.88319 0.76638 1.00000
  Tb3 Tb 0.00000 0.50000 0.00000 1.00000
  Ho1 Ho 0.32895 0.12414 0.65789 1.00000
  Ho2 Ho 0.67105 0.46625 0.34211 1.00000
  Ho3 Ho 0.67105 0.87586 0.34211 1.00000
  Ho4 Ho 0.32895 0.53375 0.65789 1.00000
  In1 In 0.21488 0.71488 0.42977 1.00000
  In2 In 0.78512 0.28512 0.57023 1.00000
  In3 In 0.50000 0.82059 0.00000 1.00000
  In4 In 0.50000 0.17941 0.00000 1.00000
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