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La4Pt2Rh

Alexandria ALEX

Alex-ID: agm014283577 · Space group: C2/m (#12)

Basic Information

Formula
La4Pt2Rh
Alex-ID
agm014283577
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
200.35
ų
Cell a
7.3171
Å
Cell b
7.3171
Å
Cell c
8.8289
Å
α angle
55.03
°
β angle
124.97
°
γ angle
148.14
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La4Pt2Rh
La
4.00 · 57.1%
Pt
2.00 · 28.6%
Rh
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0254
eV/atom
Formation energy
-0.9101
eV/atom
Corrected total energy
-45.6079
eV
Raw total energy
-45.6079
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.4881
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_44_spg2

Decomposition

La4Pt3 La4PtRh2

Computed at

2025-04-19 04:01:21

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: agm014283577).

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 agm014283577
data_agm014283577
_cell_length_a     7.31712
_cell_length_b     7.31712
_cell_length_c     8.82890
_cell_angle_alpha  55.02618
_cell_angle_beta   124.97382
_cell_angle_gamma  148.13837
_cell_volume       200.34675
_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 0.06646 0.93354 0.37538 1.00000
  La2 La 0.93354 0.06646 0.62462 1.00000
  La3 La 0.32462 0.67538 0.91246 1.00000
  La4 La 0.67538 0.32462 0.08754 1.00000
  Pt1 Pt 0.38068 0.61932 0.30494 1.00000
  Pt2 Pt 0.61932 0.38068 0.69506 1.00000
  Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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