Navigation

HEAS Data Platform · Materials Science Database

Tm4In(Ge2Rh)2

Alexandria ALEX

Alex-ID: agm020117837 · Space group: C2/m (#12)

Basic Information

Formula
Tm4In(Ge2Rh)2
Alex-ID
agm020117837
Elements
4
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
220.52
ų
Cell a
8.0909
Å
Cell b
8.0909
Å
Cell c
6.9683
Å
α angle
73.55
°
β angle
106.45
°
γ angle
149.62
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm4In(Ge2Rh)2
Tm
4.00 · 36.4%
In
1.00 · 9.1%
Ge
4.00 · 36.4%
Rh
2.00 · 18.2%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.8650
eV/atom
Corrected total energy
-63.3118
eV
Raw total energy
-63.3118
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.8255
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4D4_13_spg12

Decomposition

Tm4In(Ge2Rh)2

Computed at

2025-01-04 06:20:32

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: agm020117837).

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 agm020117837
data_agm020117837
_cell_length_a     8.09090
_cell_length_b     8.09090
_cell_length_c     6.96831
_cell_angle_alpha  73.55200
_cell_angle_beta   106.44800
_cell_angle_gamma  149.62420
_cell_volume       220.51705
_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 0.65529 0.34471 0.92878 1.00000
  Tm2 Tm 0.34471 0.65529 0.07122 1.00000
  Tm3 Tm 0.58777 0.41223 0.38669 1.00000
  Tm4 Tm 0.41223 0.58777 0.61331 1.00000
  In1 In 0.00000 0.00000 0.00000 1.00000
  Ge1 Ge 0.93599 0.06401 0.33903 1.00000
  Ge2 Ge 0.06401 0.93599 0.66097 1.00000
  Ge3 Ge 0.80360 0.19640 0.75204 1.00000
  Ge4 Ge 0.19640 0.80360 0.24796 1.00000
  Rh1 Rh 0.78029 0.21971 0.37126 1.00000
  Rh2 Rh 0.21971 0.78029 0.62874 1.00000
Get direct link