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Tb(Ho2Cu)4

Alexandria ALEX

Alex-ID: agm097969486 · Space group: Pm (#6)

Basic Information

Formula
Tb(Ho2Cu)4
Alex-ID
agm097969486
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
325.85
ų
Cell a
3.5646
Å
Cell b
10.0573
Å
Cell c
10.2861
Å
α angle
62.09
°
β angle
90.01
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb(Ho2Cu)4
Tb
1.00 · 7.7%
Ho
8.00 · 61.5%
Cu
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0587
eV/atom
Formation energy
-0.0916
eV/atom
Corrected total energy
-59.0906
eV
Raw total energy
-59.0906
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
17.3182
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB4C8_1607_spg8

Decomposition

Tb2Ho7 TbHo8 HoCu

Computed at

2025-06-15 03:50:43

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: agm097969486).

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 agm097969486
data_agm097969486
_cell_length_a     3.56457
_cell_length_b     10.05726
_cell_length_c     10.28612
_cell_angle_alpha  62.08675
_cell_angle_beta   90.00824
_cell_angle_gamma  89.99857
_cell_volume       325.85360
_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 0.42438 0.05153 0.01279 1.00000
  Ho1 Ho 0.92408 0.28437 0.12176 1.00000
  Ho2 Ho 0.92384 0.71586 0.26379 1.00000
  Ho3 Ho 0.92276 0.68642 0.68451 1.00000
  Ho4 Ho 0.42290 0.00011 0.69086 1.00000
  Ho5 Ho 0.42349 0.94775 0.37341 1.00000
  Ho6 Ho 0.42364 0.37580 0.37686 1.00000
  Ho7 Ho 0.92285 0.31338 0.70056 1.00000
  Ho8 Ho 0.42407 0.62446 0.00789 1.00000
  Cu1 Cu 0.92299 0.87524 0.92880 1.00000
  Cu2 Cu 0.42105 0.42505 0.85262 1.00000
  Cu3 Cu 0.42151 0.57586 0.53233 1.00000
  Cu4 Cu 0.92245 0.12417 0.45383 1.00000
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