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Tb4Ho3In2

Alexandria ALEX

Alex-ID: agm003333307 · Space group: C2/m (#12)

Basic Information

Formula
Tb4Ho3In2
Alex-ID
agm003333307
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
267.37
ų
Cell a
5.2932
Å
Cell b
6.7575
Å
Cell c
9.4516
Å
α angle
59.78
°
β angle
73.78
°
γ angle
66.96
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb4Ho3In2
Tb
4.00 · 44.4%
Ho
3.00 · 33.3%
In
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0468
eV/atom
Formation energy
-0.1862
eV/atom
Corrected total energy
-39.4801
eV
Raw total energy
-39.4801
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.2780
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

A2B3C4_293_spg12

Decomposition

Tb2Ho7 Ho2In Tb2In

Computed at

2022-01-29 15:43:55.187459

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: agm003333307).

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 agm003333307
data_agm003333307
_cell_length_a     5.29323
_cell_length_b     6.75749
_cell_length_c     9.45156
_cell_angle_alpha  59.77669
_cell_angle_beta   73.78440
_cell_angle_gamma  66.95795
_cell_volume       267.37112
_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 0.33077 0.37276 0.96521 1.00000
  Tb2 Tb 0.87979 0.58237 0.65742 1.00000
  Tb3 Tb 0.12021 0.41763 0.34258 1.00000
  Tb4 Tb 0.66923 0.62724 0.03479 1.00000
  Ho1 Ho 0.57627 0.19488 0.65240 1.00000
  Ho2 Ho 0.00000 0.00000 0.00000 1.00000
  Ho3 Ho 0.42373 0.80512 0.34760 1.00000
  In1 In 0.78935 0.10391 0.31760 1.00000
  In2 In 0.21065 0.89609 0.68240 1.00000
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