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Tb2Ce2MgRh2

Alexandria ALEX

Alex-ID: agm024691838 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Tb2Ce2MgRh2
Alex-ID
agm024691838
Elements
4
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
171.52
ų
Cell a
6.0444
Å
Cell b
6.0444
Å
Cell c
8.1701
Å
α angle
80.60
°
β angle
99.40
°
γ angle
144.32
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2Ce2MgRh2
Tb
2.00 · 28.6%
Ce
2.00 · 28.6%
Mg
1.00 · 14.3%
Rh
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0610
eV/atom
Formation energy
-0.4825
eV/atom
Corrected total energy
-40.8073
eV
Raw total energy
-40.8073
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0156
eV
DOS at Fermi level
10.6495
Total magnetisation
0.0902
μB

Additional Information

Prototype ID

AB2C2D2_13_spg12

Decomposition

TbMgRh CeRh Tb5Rh3 Ce

Computed at

2025-04-18 14:16:22

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: agm024691838).

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 agm024691838
data_agm024691838
_cell_length_a     6.04441
_cell_length_b     6.04441
_cell_length_c     8.17014
_cell_angle_alpha  80.60081
_cell_angle_beta   99.39919
_cell_angle_gamma  144.31853
_cell_volume       171.52429
_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 0.38232 0.61768 0.12224 1.00000
  Tb2 Tb 0.61768 0.38232 0.87776 1.00000
  Ce1 Ce 0.30075 0.69925 0.64374 1.00000
  Ce2 Ce 0.69925 0.30075 0.35626 1.00000
  Mg1 Mg 0.00000 0.00000 0.50000 1.00000
  Rh1 Rh 0.90780 0.09220 0.85390 1.00000
  Rh2 Rh 0.09220 0.90780 0.14610 1.00000
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