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Tb7AgRh4

Alexandria ALEX

Alex-ID: agm003666840 · Space group: C2/m (#12)

Basic Information

Formula
Tb7AgRh4
Alex-ID
agm003666840
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
291.42
ų
Cell a
5.4246
Å
Cell b
8.4337
Å
Cell c
7.3317
Å
α angle
75.11
°
β angle
68.29
°
γ angle
71.24
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb7AgRh4
Tb
7.00 · 58.3%
Ag
1.00 · 8.3%
Rh
4.00 · 33.3%

Energy & Stability

Energy above hull
0.2170
eV/atom
Formation energy
-0.4664
eV/atom
Corrected total energy
-70.2804
eV
Raw total energy
-70.2804
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0234
eV
DOS at Fermi level
7.5688
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C7_87_spg12

Decomposition

Tb4AgRh3 TbAg2 Tb5Rh3

Computed at

2022-04-27 17:01:47.156201

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: agm003666840).

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 agm003666840
data_agm003666840
_cell_length_a     5.42465
_cell_length_b     8.43370
_cell_length_c     7.33169
_cell_angle_alpha  75.11385
_cell_angle_beta   68.28775
_cell_angle_gamma  71.23997
_cell_volume       291.42175
_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 0.79033 0.87874 0.54060 1.00000
  Tb2 Tb 0.20967 0.12126 0.45940 1.00000
  Tb3 Tb 0.07574 0.63484 0.21368 1.00000
  Tb4 Tb 0.92426 0.36516 0.78632 1.00000
  Tb5 Tb 0.32322 0.62655 0.72702 1.00000
  Tb6 Tb 0.50000 0.00000 0.00000 1.00000
  Tb7 Tb 0.67678 0.37345 0.27298 1.00000
  Ag1 Ag 0.00000 0.00000 0.00000 1.00000
  Rh1 Rh 0.56716 0.22064 0.64504 1.00000
  Rh2 Rh 0.43284 0.77936 0.35496 1.00000
  Rh3 Rh 0.70468 0.65580 0.93484 1.00000
  Rh4 Rh 0.29532 0.34420 0.06516 1.00000
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