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Tb3Sb4Rh7

Alexandria ALEX

Alex-ID: agm005704950 · Space group: C2/m (#12)

Basic Information

Formula
Tb3Sb4Rh7
Alex-ID
agm005704950
Elements
3
Sites
14
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
271.80
ų
Cell a
4.2251
Å
Cell b
8.2291
Å
Cell c
8.6679
Å
α angle
71.46
°
β angle
75.89
°
γ angle
75.12
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb3Sb4Rh7
Tb
3.00 · 21.4%
Sb
4.00 · 28.6%
Rh
7.00 · 50.0%

Energy & Stability

Energy above hull
0.0042
eV/atom
Formation energy
-0.7874
eV/atom
Corrected total energy
-92.8700
eV
Raw total energy
-92.8700
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0114
eV
DOS at Fermi level
8.3989
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C7_8_spg12

Decomposition

Tb2SbRh5 Tb4Sb6Rh7 Tb2(SbRh3)3

Computed at

2023-06-29 17:34:59.335560

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: agm005704950).

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 agm005704950
data_agm005704950
_cell_length_a     4.22511
_cell_length_b     8.22907
_cell_length_c     8.66795
_cell_angle_alpha  71.45800
_cell_angle_beta   75.89377
_cell_angle_gamma  75.12454
_cell_volume       271.79905
_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 0.33781 0.17477 0.14960 1.00000
  Tb2 Tb 0.66219 0.82523 0.85040 1.00000
  Tb3 Tb 0.00000 0.50000 0.50000 1.00000
  Sb1 Sb 0.66388 0.44128 0.23096 1.00000
  Sb2 Sb 0.33612 0.55872 0.76904 1.00000
  Sb3 Sb 0.88957 0.88791 0.33294 1.00000
  Sb4 Sb 0.11043 0.11209 0.66706 1.00000
  Rh1 Rh 0.30671 0.85064 0.53594 1.00000
  Rh2 Rh 0.48989 0.22242 0.79780 1.00000
  Rh3 Rh 0.83740 0.39482 0.93039 1.00000
  Rh4 Rh 0.69329 0.14936 0.46406 1.00000
  Rh5 Rh 0.16260 0.60518 0.06961 1.00000
  Rh6 Rh 0.00000 0.00000 0.00000 1.00000
  Rh7 Rh 0.51011 0.77758 0.20220 1.00000
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