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Rb3Pt4

Alexandria ALEX

Alex-ID: agm005487040 · Space group: I4/mmm (#139)

Basic Information

Formula
Rb3Pt4
Alex-ID
agm005487040
Elements
2
Sites
7
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
218.79
ų
Cell a
16.5595
Å
Cell b
16.5595
Å
Cell c
16.5595
Å
α angle
167.32
°
β angle
167.32
°
γ angle
17.97
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb3Pt4
Rb
3.00 · 42.9%
Pt
4.00 · 57.1%

Energy & Stability

Energy above hull
0.2486
eV/atom
Formation energy
0.0905
eV/atom
Corrected total energy
-26.6214
eV
Raw total energy
-26.6214
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.9294
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

A3B4_126_spg139

Decomposition

RbPt2 Rb

Computed at

2023-03-19 11:24:23.349128

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: agm005487040).

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 agm005487040
data_agm005487040
_cell_length_a     16.55947
_cell_length_b     16.55947
_cell_length_c     16.55947
_cell_angle_alpha  167.31964
_cell_angle_beta   167.31964
_cell_angle_gamma  17.96973
_cell_volume       218.78718
_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
  Rb1 Rb 0.00000 0.00000 0.00000 1.00000
  Rb2 Rb 0.32170 0.32170 0.00000 1.00000
  Rb3 Rb 0.67830 0.67830 0.00000 1.00000
  Pt1 Pt 0.09909 0.09909 0.00000 1.00000
  Pt2 Pt 0.41528 0.41528 0.00000 1.00000
  Pt3 Pt 0.58472 0.58472 0.00000 1.00000
  Pt4 Pt 0.90091 0.90091 0.00000 1.00000
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