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Tb2Y5Ho

Alexandria ALEX

Alex-ID: agm040883158 · Space group: Fmm2 (#42)

Basic Information

Formula
Tb2Y5Ho
Alex-ID
agm040883158
Elements
3
Sites
8
Space group
Fmm2 (#42)
Crystal system
orthorhombic
Volume
259.77
ų
Cell a
8.4748
Å
Cell b
7.2821
Å
Cell c
6.7280
Å
α angle
74.33
°
β angle
55.82
°
γ angle
49.85
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2Y5Ho
Tb
2.00 · 25.0%
Y
5.00 · 62.5%
Ho
1.00 · 12.5%

Energy & Stability

Energy above hull
0.0090
eV/atom
Formation energy
0.0037
eV/atom
Corrected total energy
-46.1288
eV
Raw total energy
-46.1288
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0066
eV
DOS at Fermi level
14.6118
Total magnetisation
-0.0002
μB

Additional Information

Prototype ID

AB2C5_421_spg107

Decomposition

Tb5Y Tb2Ho Y5Ho

Computed at

2025-07-01 13:28:00

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: agm040883158).

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 agm040883158
data_agm040883158
_cell_length_a     8.47481
_cell_length_b     7.28207
_cell_length_c     6.72798
_cell_angle_alpha  74.32640
_cell_angle_beta   55.82343
_cell_angle_gamma  49.85017
_cell_volume       259.76816
_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 0.67925 0.18137 0.81863 1.00000
  Tb2 Tb 0.18137 0.67925 0.32075 1.00000
  Y1 Y 0.18065 0.18065 0.31935 1.00000
  Y2 Y 0.26294 0.76386 0.73706 1.00000
  Y3 Y 0.76386 0.26294 0.23614 1.00000
  Y4 Y 0.68065 0.68065 0.81935 1.00000
  Y5 Y 0.76440 0.76440 0.23560 1.00000
  Ho1 Ho 0.26414 0.26414 0.73586 1.00000
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