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Eu2Ge5Rh3

Alexandria ALEX

Alex-ID: agm090376291 · Space group: Ibam (#72)

Alexandria Database API

Basic Information

Formula
Eu2Ge5Rh3
Alex-ID
agm090376291
Elements
3
Sites
20
Space group
Ibam (#72)
Crystal system
orthorhombic
Volume
374.89
ų
Cell a
8.5717
Å
Cell b
8.5717
Å
Cell c
8.5717
Å
α angle
139.67
°
β angle
107.14
°
γ angle
86.73
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu2Ge5Rh3
Eu
4.00 · 20.0%
Ge
10.00 · 50.0%
Rh
6.00 · 30.0%

Energy & Stability

Energy above hull
0.0158
eV/atom
Formation energy
-0.7216
eV/atom
Corrected total energy
-145.8127
eV
Raw total energy
-145.8127
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0024
eV
DOS at Fermi level
37.9015
Total magnetisation
27.5882
μB

Additional Information

Prototype ID

A2B3C5_60_spg72

Decomposition

Eu(GeRh)2 EuGe3Rh

Computed at

2025-03-15 07:59:42

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: agm090376291).

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 agm090376291
data_agm090376291
_cell_length_a     8.57175
_cell_length_b     8.57175
_cell_length_c     8.57175
_cell_angle_alpha  139.67473
_cell_angle_beta   107.13658
_cell_angle_gamma  86.73046
_cell_volume       374.89372
_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
  Eu1 Eu 0.36625 0.13559 0.23066 1.00000
  Eu2 Eu 0.63375 0.86441 0.76934 1.00000
  Eu3 Eu 0.09507 0.36441 0.73066 1.00000
  Eu4 Eu 0.90493 0.63559 0.26934 1.00000
  Ge1 Ge 0.28467 0.53467 0.25000 1.00000
  Ge2 Ge 0.71533 0.46533 0.75000 1.00000
  Ge3 Ge 0.71533 0.96533 0.25000 1.00000
  Ge4 Ge 0.28467 0.03467 0.75000 1.00000
  Ge5 Ge 0.56970 0.40368 0.16602 1.00000
  Ge6 Ge 0.43030 0.59632 0.83398 1.00000
  Ge7 Ge 0.76234 0.09632 0.66602 1.00000
  Ge8 Ge 0.23766 0.90368 0.33398 1.00000
  Ge9 Ge 0.00000 0.25000 0.25000 1.00000
  Ge10 Ge 0.00000 0.75000 0.75000 1.00000
  Rh1 Rh 0.24015 0.64143 0.59871 1.00000
  Rh2 Rh 0.75985 0.35857 0.40129 1.00000
  Rh3 Rh 0.95728 0.85857 0.09871 1.00000
  Rh4 Rh 0.04272 0.14143 0.90129 1.00000
  Rh5 Rh 0.50000 0.75000 0.25000 1.00000
  Rh6 Rh 0.50000 0.25000 0.75000 1.00000
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