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Eu2SnRh2

Alexandria ALEX

Alex-ID: agm077801232 · Space group: Immm (#71)

Basic Information

Formula
Eu2SnRh2
Alex-ID
agm077801232
Elements
3
Sites
5
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
116.49
ų
Cell a
5.8211
Å
Cell b
5.8211
Å
Cell c
5.8211
Å
α angle
135.99
°
β angle
118.93
°
γ angle
78.29
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu2SnRh2
Eu
2.00 · 40.0%
Sn
1.00 · 20.0%
Rh
2.00 · 40.0%

Energy & Stability

Energy above hull
0.0315
eV/atom
Formation energy
-0.6208
eV/atom
Corrected total energy
-42.3586
eV
Raw total energy
-42.3586
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0062
eV
DOS at Fermi level
17.2634
Total magnetisation
-13.8575
μB

Additional Information

Prototype ID

AB2C2_102_spg71

Decomposition

Eu2SnRh2

Computed at

2025-01-10 02:54:57

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: agm077801232).

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 agm077801232
data_agm077801232
_cell_length_a     5.82111
_cell_length_b     5.82111
_cell_length_c     5.82111
_cell_angle_alpha  135.98541
_cell_angle_beta   118.93174
_cell_angle_gamma  78.29164
_cell_volume       116.49371
_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 0.20263 0.20263 1.00000 1.00000
  Eu2 Eu 0.79737 0.79737 0.00000 1.00000
  Sn1 Sn 0.50000 0.00000 0.50000 1.00000
  Rh1 Rh 0.23018 0.50000 0.73018 1.00000
  Rh2 Rh 0.76982 0.50000 0.26982 1.00000
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