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La2Sn4Rh

Alexandria ALEX

Alex-ID: agm036733360 · Space group: Amm2 (#38)

Alexandria Database API

Basic Information

Formula
La2Sn4Rh
Alex-ID
agm036733360
Elements
3
Sites
7
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
189.47
ų
Cell a
9.1395
Å
Cell b
9.1395
Å
Cell c
4.6147
Å
α angle
90.00
°
β angle
90.00
°
γ angle
150.56
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2Sn4Rh
La
2.00 · 28.6%
Sn
4.00 · 57.1%
Rh
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0205
eV/atom
Formation energy
-0.7301
eV/atom
Corrected total energy
-38.3282
eV
Raw total energy
-38.3282
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.5175
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_391_spg139

Decomposition

La3Sn7Rh2 La7Sn13Rh4 La2Sn5

Computed at

2025-04-19 03:57:22

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: agm036733360).

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 agm036733360
data_agm036733360
_cell_length_a     9.13954
_cell_length_b     9.13954
_cell_length_c     4.61467
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  150.55833
_cell_volume       189.47246
_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 0.10830 0.89170 0.00000 1.00000
  La2 La 0.89744 0.10256 0.50000 1.00000
  Sn1 Sn 0.46132 0.53868 0.00000 1.00000
  Sn2 Sn 0.57007 0.42993 0.50000 1.00000
  Sn3 Sn 0.74235 0.25765 0.00000 1.00000
  Sn4 Sn 0.24265 0.75735 0.50000 1.00000
  Rh1 Rh 0.31475 0.68525 0.00000 1.00000
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