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La2AgRh

Alexandria ALEX

Alex-ID: agm083020171 · Space group: Immm (#71)

Alexandria Database API

Basic Information

Formula
La2AgRh
Alex-ID
agm083020171
Elements
3
Sites
8
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
216.70
ų
Cell a
8.3766
Å
Cell b
8.3766
Å
Cell c
8.3766
Å
α angle
152.49
°
β angle
126.44
°
γ angle
61.25
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2AgRh
La
4.00 · 50.0%
Ag
2.00 · 25.0%
Rh
2.00 · 25.0%

Energy & Stability

Energy above hull
0.0505
eV/atom
Formation energy
-0.5093
eV/atom
Corrected total energy
-44.1895
eV
Raw total energy
-44.1894
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0554
eV
DOS at Fermi level
5.8077
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_1615_spg2

Decomposition

La2AgRh

Computed at

2025-03-02 02:22:42

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: agm083020171).

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 agm083020171
data_agm083020171
_cell_length_a     8.37662
_cell_length_b     8.37662
_cell_length_c     8.37662
_cell_angle_alpha  152.49360
_cell_angle_beta   126.44303
_cell_angle_gamma  61.25041
_cell_volume       216.70243
_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
  La1 La 0.38620 0.13591 0.25029 1.00000
  La2 La 0.61380 0.86409 0.74971 1.00000
  La3 La 0.11439 0.86409 0.25029 1.00000
  La4 La 0.88561 0.13591 0.74971 1.00000
  Ag1 Ag 0.50000 0.50000 0.00000 1.00000
  Ag2 Ag 0.00000 0.50000 0.50000 1.00000
  Rh1 Rh 0.20300 0.70300 0.50000 1.00000
  Rh2 Rh 0.79700 0.29700 0.50000 1.00000
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