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Tb3(Ho4Rh)2

Alexandria ALEX

Alex-ID: agm010242513 · Space group: P-1 (#2)

Basic Information

Formula
Tb3(Ho4Rh)2
Alex-ID
agm010242513
Elements
3
Sites
13
Space group
P-1 (#2)
Crystal system
triclinic
Volume
366.73
ų
Cell a
6.0494
Å
Cell b
7.6627
Å
Cell c
8.6239
Å
α angle
71.27
°
β angle
81.50
°
γ angle
76.33
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb3(Ho4Rh)2
Tb
3.00 · 23.1%
Ho
8.00 · 61.5%
Rh
2.00 · 15.4%

Energy & Stability

Energy above hull
0.0846
eV/atom
Formation energy
-0.2504
eV/atom
Corrected total energy
-68.4827
eV
Raw total energy
-68.4827
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
15.5425
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C8_634_spg2

Decomposition

Tb2Ho7 Tb2Ho Ho3Rh

Computed at

2024-03-18 02:10:15.374198

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: agm010242513).

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 agm010242513
data_agm010242513
_cell_length_a     6.04944
_cell_length_b     7.66265
_cell_length_c     8.62393
_cell_angle_alpha  71.26968
_cell_angle_beta   81.49899
_cell_angle_gamma  76.32689
_cell_volume       366.73482
_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 0.44755 0.23476 0.93850 1.00000
  Tb3 Tb 0.55245 0.76524 0.06150 1.00000
  Ho1 Ho 0.85724 0.48639 0.84981 1.00000
  Ho2 Ho 0.14276 0.51361 0.15019 1.00000
  Ho3 Ho 0.75828 0.99477 0.67065 1.00000
  Ho4 Ho 0.24172 0.00523 0.32935 1.00000
  Ho5 Ho 0.80300 0.72027 0.41830 1.00000
  Ho6 Ho 0.66969 0.29318 0.28945 1.00000
  Ho7 Ho 0.33031 0.70682 0.71055 1.00000
  Ho8 Ho 0.19700 0.27973 0.58170 1.00000
  Rh1 Rh 0.32716 0.62357 0.38132 1.00000
  Rh2 Rh 0.67284 0.37643 0.61868 1.00000
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