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Tb4Ho3Tm8

Alexandria ALEX

Alex-ID: agm005707230 · Space group: R-3m (#166)

Basic Information

Formula
Tb4Ho3Tm8
Alex-ID
agm005707230
Elements
3
Sites
15
Space group
R-3m (#166)
Crystal system
trigonal
Volume
470.26
ų
Cell a
6.8403
Å
Cell b
6.8403
Å
Cell c
12.2590
Å
α angle
73.80
°
β angle
73.80
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb4Ho3Tm8
Tb
4.00 · 26.7%
Ho
3.00 · 20.0%
Tm
8.00 · 53.3%

Energy & Stability

Energy above hull
0.1475
eV/atom
Formation energy
0.1396
eV/atom
Corrected total energy
-65.9422
eV
Raw total energy
-65.9422
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
22.0149
Total magnetisation
0.0036
μB

Additional Information

Prototype ID

A3B4C8_75_spg166

Decomposition

HoTm5 Tb5Tm Tb2Ho

Computed at

2023-06-29 19:06:57.213065

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: agm005707230).

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 agm005707230
data_agm005707230
_cell_length_a     6.84028
_cell_length_b     6.84028
_cell_length_c     12.25904
_cell_angle_alpha  73.79980
_cell_angle_beta   73.79979
_cell_angle_gamma  59.99991
_cell_volume       470.26274
_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
  Tb2 Tb 0.33653 0.33653 0.99041 1.00000
  Tb3 Tb 0.50000 0.50000 0.50000 1.00000
  Tb4 Tb 0.66347 0.66347 0.00959 1.00000
  Ho1 Ho 0.50000 0.00000 0.50000 1.00000
  Ho2 Ho 0.00000 0.00000 0.50000 1.00000
  Ho3 Ho 0.00000 0.50000 0.50000 1.00000
  Tm1 Tm 0.24495 0.24495 0.26516 1.00000
  Tm2 Tm 0.24780 0.75029 0.25162 1.00000
  Tm3 Tm 0.75029 0.75029 0.25162 1.00000
  Tm4 Tm 0.75029 0.24780 0.25162 1.00000
  Tm5 Tm 0.75505 0.75505 0.73484 1.00000
  Tm6 Tm 0.75220 0.24971 0.74838 1.00000
  Tm7 Tm 0.24971 0.24971 0.74838 1.00000
  Tm8 Tm 0.24971 0.75220 0.74838 1.00000
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