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Tb3Ho5Sn

Alexandria ALEX

Alex-ID: agm072209705 · Space group: Cm (#8)

Basic Information

Formula
Tb3Ho5Sn
Alex-ID
agm072209705
Elements
3
Sites
9
Space group
Cm (#8)
Crystal system
monoclinic
Volume
270.42
ų
Cell a
7.8555
Å
Cell b
7.8555
Å
Cell c
7.8389
Å
α angle
72.55
°
β angle
72.55
°
γ angle
36.09
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb3Ho5Sn
Tb
3.00 · 33.3%
Ho
5.00 · 55.6%
Sn
1.00 · 11.1%

Energy & Stability

Energy above hull
0.0722
eV/atom
Formation energy
-0.1463
eV/atom
Corrected total energy
-42.1089
eV
Raw total energy
-42.1089
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0104
eV
DOS at Fermi level
12.8766
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C5_1107_spg1

Decomposition

Tb2Ho7 Tb2Ho Tb3Ho2Sn3

Computed at

2024-09-24 21:11:21.105624

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: agm072209705).

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 agm072209705
data_agm072209705
_cell_length_a     7.85545
_cell_length_b     7.85545
_cell_length_c     7.83893
_cell_angle_alpha  72.54582
_cell_angle_beta   72.54582
_cell_angle_gamma  36.09374
_cell_volume       270.41574
_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 0.89380 0.89380 0.43567 1.00000
  Tb2 Tb 0.00544 0.00544 0.75948 1.00000
  Tb3 Tb 0.22771 0.22771 0.42947 1.00000
  Ho1 Ho 0.56317 0.56317 0.41887 1.00000
  Ho2 Ho 0.33532 0.33532 0.77712 1.00000
  Ho3 Ho 0.10853 0.10853 0.09884 1.00000
  Ho4 Ho 0.67098 0.67098 0.76714 1.00000
  Ho5 Ho 0.79062 0.79062 0.09645 1.00000
  Sn1 Sn 0.44991 0.44991 0.09677 1.00000
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