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Tb8Pt2Rh

Alexandria ALEX

Alex-ID: agm006012602 · Space group: Cm (#8)

Basic Information

Formula
Tb8Pt2Rh
Alex-ID
agm006012602
Elements
3
Sites
11
Space group
Cm (#8)
Crystal system
monoclinic
Volume
303.09
ų
Cell a
6.0404
Å
Cell b
7.5980
Å
Cell c
7.5980
Å
α angle
112.77
°
β angle
100.65
°
γ angle
100.65
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb8Pt2Rh
Tb
8.00 · 72.7%
Pt
2.00 · 18.2%
Rh
1.00 · 9.1%

Energy & Stability

Energy above hull
0.1513
eV/atom
Formation energy
-0.5372
eV/atom
Corrected total energy
-62.4951
eV
Raw total energy
-62.4951
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.0909
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_295_spg12

Decomposition

Tb3Pt Tb3Rh Tb2Pt

Computed at

2023-09-29 20:18:09

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: agm006012602).

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 agm006012602
data_agm006012602
_cell_length_a     6.04037
_cell_length_b     7.59804
_cell_length_c     7.59804
_cell_angle_alpha  112.77471
_cell_angle_beta   100.64573
_cell_angle_gamma  100.64573
_cell_volume       303.09283
_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 0.58500 0.33977 0.08246 1.00000
  Tb2 Tb 0.58500 0.08246 0.33977 1.00000
  Tb3 Tb 0.16852 0.36068 0.36068 1.00000
  Tb4 Tb 0.98849 0.21304 0.79015 1.00000
  Tb5 Tb 0.98849 0.79015 0.21304 1.00000
  Tb6 Tb 0.80963 0.64539 0.64539 1.00000
  Tb7 Tb 0.37446 0.92230 0.66561 1.00000
  Tb8 Tb 0.37446 0.66561 0.92230 1.00000
  Pt1 Pt 0.48900 0.69247 0.31694 1.00000
  Pt2 Pt 0.48900 0.31694 0.69247 1.00000
  Rh1 Rh 0.14763 0.00512 0.00512 1.00000
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