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Tb2CeHoSb4

Alexandria ALEX

Alex-ID: agm013676048 · Space group: I4/mmm (#139)

Alexandria Database API

Basic Information

Formula
Tb2CeHoSb4
Alex-ID
agm013676048
Elements
4
Sites
8
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
243.95
ų
Cell a
6.2505
Å
Cell b
6.2505
Å
Cell c
7.6499
Å
α angle
65.89
°
β angle
114.11
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2CeHoSb4
Tb
2.00 · 25.0%
Ce
1.00 · 12.5%
Ho
1.00 · 12.5%
Sb
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0057
eV/atom
Formation energy
-1.1109
eV/atom
Corrected total energy
-45.1539
eV
Raw total energy
-45.1539
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.1467
Total magnetisation
0.7685
μB

Additional Information

Prototype ID

ABC2D4_1191_spg1

Decomposition

TbHo3Sb4 Tb2Ce3HoSb6 Tb2CeSb3

Computed at

2025-02-28 16:10:11

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: agm013676048).

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 agm013676048
data_agm013676048
_cell_length_a     6.25050
_cell_length_b     6.25050
_cell_length_c     7.64985
_cell_angle_alpha  65.88815
_cell_angle_beta   114.11185
_cell_angle_gamma  90.00064
_cell_volume       243.94589
_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 0.75014 0.75014 0.00000 1.00000
  Tb2 Tb 0.24986 0.24986 0.00000 1.00000
  Ce1 Ce 0.50000 0.50000 0.50000 1.00000
  Ho1 Ho 0.00000 0.00000 0.50000 1.00000
  Sb1 Sb 0.00000 0.50000 0.50000 1.00000
  Sb2 Sb 0.50000 0.00000 0.50000 1.00000
  Sb3 Sb 0.24839 0.75161 0.99646 1.00000
  Sb4 Sb 0.75161 0.24839 0.00354 1.00000
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