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In4Ge2Rh

Alexandria ALEX

Alex-ID: agm095973203 · Space group: P2/m (#10)

Basic Information

Formula
In4Ge2Rh
Alex-ID
agm095973203
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
163.22
ų
Cell a
5.0034
Å
Cell b
4.4913
Å
Cell c
7.2641
Å
α angle
90.00
°
β angle
90.74
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
In4Ge2Rh
In
4.00 · 57.1%
Ge
2.00 · 28.6%
Rh
1.00 · 14.3%

Energy & Stability

Energy above hull
0.1282
eV/atom
Formation energy
-0.0500
eV/atom
Corrected total energy
-28.0144
eV
Raw total energy
-28.0144
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.9344
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_6191_spg25

Decomposition

In3Ge4Rh3 In Ge

Computed at

2025-04-10 18:47:17

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: agm095973203).

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 agm095973203
data_agm095973203
_cell_length_a     5.00337
_cell_length_b     4.49131
_cell_length_c     7.26413
_cell_angle_alpha  90.00000
_cell_angle_beta   90.73942
_cell_angle_gamma  90.00000
_cell_volume       163.22370
_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
  In1 In 0.70698 0.50000 0.82598 1.00000
  In2 In 0.70740 0.00000 0.35882 1.00000
  In3 In 0.29260 0.00000 0.64118 1.00000
  In4 In 0.29302 0.50000 0.17402 1.00000
  Ge1 Ge 0.00000 0.00000 0.00000 1.00000
  Ge2 Ge 0.00000 0.50000 0.50000 1.00000
  Rh1 Rh 0.50000 0.00000 0.00000 1.00000
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