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TbHo4Tm

Alexandria ALEX

Alex-ID: agm070125528 · Space group: C2/m (#12)

Basic Information

Formula
TbHo4Tm
Alex-ID
agm070125528
Elements
3
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
184.34
ų
Cell a
6.0868
Å
Cell b
6.0868
Å
Cell c
9.9334
Å
α angle
65.90
°
β angle
114.10
°
γ angle
146.37
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbHo4Tm
Tb
1.00 · 16.7%
Ho
4.00 · 66.7%
Tm
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0247
eV/atom
Formation energy
0.0197
eV/atom
Corrected total energy
-27.2998
eV
Raw total energy
-27.2998
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0010
eV
DOS at Fermi level
7.4934
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_645_spg2

Decomposition

Tb2Ho7 TbHo8 HoTm5

Computed at

2025-04-16 04:51:16

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: agm070125528).

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 agm070125528
data_agm070125528
_cell_length_a     6.08676
_cell_length_b     6.08676
_cell_length_c     9.93337
_cell_angle_alpha  65.89911
_cell_angle_beta   114.10089
_cell_angle_gamma  146.37113
_cell_volume       184.33798
_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 0.00000 0.00000 1.00000
  Ho1 Ho 0.33351 0.66649 0.16779 1.00000
  Ho2 Ho 0.66649 0.33351 0.83221 1.00000
  Ho3 Ho 0.33323 0.66677 0.66556 1.00000
  Ho4 Ho 0.66677 0.33323 0.33444 1.00000
  Tm1 Tm 0.00000 0.00000 0.50000 1.00000
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