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TmNiGeRh

Alexandria ALEX

Alex-ID: agm005204396 · Space group: Amm2 (#38)

Basic Information

Formula
TmNiGeRh
Alex-ID
agm005204396
Elements
4
Sites
4
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
69.89
ų
Cell a
4.4103
Å
Cell b
3.4123
Å
Cell c
4.9476
Å
α angle
110.17
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TmNiGeRh
Tm
1.00 · 25.0%
Ni
1.00 · 25.0%
Ge
1.00 · 25.0%
Rh
1.00 · 25.0%

Energy & Stability

Energy above hull
0.3813
eV/atom
Formation energy
-0.4240
eV/atom
Corrected total energy
-23.9201
eV
Raw total energy
-23.9201
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0653
eV
DOS at Fermi level
2.1484
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABCD_821_spg8

Decomposition

TmGeRh Tm4Ge6Rh7 TmNi4Ge TmRh

Computed at

2022-07-10 15:07:41.179507

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: agm005204396).

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 agm005204396
data_agm005204396
_cell_length_a     4.41032
_cell_length_b     3.41226
_cell_length_c     4.94758
_cell_angle_alpha  110.17211
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       69.88973
_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 0.50000 0.22709 0.45419 1.00000
  Ni1 Ni 0.00000 0.89901 0.79802 1.00000
  Ge1 Ge 0.00000 0.60576 0.21153 1.00000
  Rh1 Rh 0.50000 0.49594 0.99189 1.00000
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