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TmGeRh

Alexandria ALEX

Alex-ID: agm017169551 · Space group: Cmcm (#63)

Alexandria Database API

Basic Information

Formula
TmGeRh
Alex-ID
agm017169551
Elements
3
Sites
6
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
110.60
ų
Cell a
5.6206
Å
Cell b
5.6206
Å
Cell c
5.7504
Å
α angle
90.00
°
β angle
90.00
°
γ angle
142.50
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TmGeRh
Tm
2.00 · 33.3%
Ge
2.00 · 33.3%
Rh
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0254
eV/atom
Formation energy
-0.9751
eV/atom
Corrected total energy
-38.7312
eV
Raw total energy
-38.7312
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0303
eV
DOS at Fermi level
2.1209
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_561_spg11

Decomposition

TmGeRh

Computed at

2025-04-16 00:51:22

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: agm017169551).

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 agm017169551
data_agm017169551
_cell_length_a     5.62059
_cell_length_b     5.62059
_cell_length_c     5.75040
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  142.49500
_cell_volume       110.60065
_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
  Tm1 Tm 0.17995 0.82005 0.75000 1.00000
  Tm2 Tm 0.82005 0.17995 0.25000 1.00000
  Ge1 Ge 0.10859 0.89141 0.25000 1.00000
  Ge2 Ge 0.89141 0.10859 0.75000 1.00000
  Rh1 Rh 0.50000 0.50000 0.00000 1.00000
  Rh2 Rh 0.50000 0.50000 0.50000 1.00000
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