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Eu2GaRh2

Alexandria ALEX

Alex-ID: agm089293226 · Space group: C2/c (#15)

Basic Information

Formula
Eu2GaRh2
Alex-ID
agm089293226
Elements
3
Sites
10
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
219.13
ų
Cell a
5.8296
Å
Cell b
5.8296
Å
Cell c
7.7365
Å
α angle
78.41
°
β angle
101.59
°
γ angle
121.07
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu2GaRh2
Eu
4.00 · 40.0%
Ga
2.00 · 20.0%
Rh
4.00 · 40.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.6343
eV/atom
Corrected total energy
-82.9099
eV
Raw total energy
-82.9099
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0011
eV
DOS at Fermi level
33.4341
Total magnetisation
27.7546
μB

Additional Information

Prototype ID

AB2C2_14_spg70

Decomposition

Eu2GaRh2

Computed at

2025-03-15 06:38:14

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: agm089293226).

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 agm089293226
data_agm089293226
_cell_length_a     5.82965
_cell_length_b     5.82965
_cell_length_c     7.73648
_cell_angle_alpha  78.40604
_cell_angle_beta   101.59396
_cell_angle_gamma  121.06782
_cell_volume       219.12590
_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 0.49137 0.78509 0.85445 1.00000
  Eu2 Eu 0.50863 0.21491 0.14555 1.00000
  Eu3 Eu 0.78509 0.49137 0.64555 1.00000
  Eu4 Eu 0.21491 0.50863 0.35445 1.00000
  Ga1 Ga 0.89218 0.89218 0.25000 1.00000
  Ga2 Ga 0.10782 0.10782 0.75000 1.00000
  Rh1 Rh 0.72839 0.99397 0.49093 1.00000
  Rh2 Rh 0.27161 0.00603 0.50907 1.00000
  Rh3 Rh 0.99397 0.72839 0.00907 1.00000
  Rh4 Rh 0.00603 0.27161 0.99093 1.00000
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