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Rb2GaPt2

Alexandria ALEX

Alex-ID: agm014454518 · Space group: Immm (#71)

Basic Information

Formula
Rb2GaPt2
Alex-ID
agm014454518
Elements
3
Sites
5
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
135.62
ų
Cell a
6.8088
Å
Cell b
6.8088
Å
Cell c
6.8088
Å
α angle
144.99
°
β angle
130.83
°
γ angle
61.79
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb2GaPt2
Rb
2.00 · 40.0%
Ga
1.00 · 20.0%
Pt
2.00 · 40.0%

Energy & Stability

Energy above hull
0.0594
eV/atom
Formation energy
-0.2644
eV/atom
Corrected total energy
-18.4625
eV
Raw total energy
-18.4625
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.5043
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_15_spg69

Decomposition

RbGa2Pt3 Rb RbPt2

Computed at

2025-01-20 19:36:07

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: agm014454518).

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 agm014454518
data_agm014454518
_cell_length_a     6.80881
_cell_length_b     6.80881
_cell_length_c     6.80881
_cell_angle_alpha  144.98559
_cell_angle_beta   130.82506
_cell_angle_gamma  61.78643
_cell_volume       135.61841
_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 0.29642 0.29642 0.00000 1.00000
  Rb2 Rb 0.70358 0.70358 0.00000 1.00000
  Ga1 Ga 0.00000 0.50000 0.50000 1.00000
  Pt1 Pt 0.73513 0.00000 0.73513 1.00000
  Pt2 Pt 0.26487 0.00000 0.26487 1.00000
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