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RbPt8

Alexandria ALEX

Alex-ID: agm005503173 · Space group: I4/mmm (#139)

Basic Information

Formula
RbPt8
Alex-ID
agm005503173
Elements
2
Sites
9
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
156.43
ų
Cell a
7.6627
Å
Cell b
7.6627
Å
Cell c
7.6627
Å
α angle
91.85
°
β angle
91.85
°
γ angle
159.30
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
RbPt8
Rb
1.00 · 11.1%
Pt
8.00 · 88.9%

Energy & Stability

Energy above hull
0.4417
eV/atom
Formation energy
0.3802
eV/atom
Corrected total energy
-46.2497
eV
Raw total energy
-46.2497
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.7194
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB8_30_spg139

Decomposition

RbPt2 Pt

Computed at

2023-03-19 14:44:17.521113

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: agm005503173).

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 agm005503173
data_agm005503173
_cell_length_a     7.66267
_cell_length_b     7.66267
_cell_length_c     7.66267
_cell_angle_alpha  91.84930
_cell_angle_beta   91.84930
_cell_angle_gamma  159.30236
_cell_volume       156.43327
_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
  Pt1 Pt 0.33171 0.00000 0.33171 1.00000
  Pt2 Pt 0.66829 0.00000 0.66829 1.00000
  Pt3 Pt 0.00000 0.66829 0.66829 1.00000
  Pt4 Pt 0.32540 0.67460 0.00000 1.00000
  Pt5 Pt 0.67460 0.67460 0.34921 1.00000
  Pt6 Pt 0.00000 0.33171 0.33171 1.00000
  Pt7 Pt 0.32540 0.32540 0.65079 1.00000
  Pt8 Pt 0.67460 0.32540 0.00000 1.00000
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