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Rb3Ga8Pt3

Alexandria ALEX

Alex-ID: agm008374147 · Space group: Immm (#71)

Basic Information

Formula
Rb3Ga8Pt3
Alex-ID
agm008374147
Elements
3
Sites
14
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
347.05
ų
Cell a
9.1698
Å
Cell b
9.1698
Å
Cell c
9.1698
Å
α angle
152.37
°
β angle
94.78
°
γ angle
91.76
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb3Ga8Pt3
Rb
3.00 · 21.4%
Ga
8.00 · 57.1%
Pt
3.00 · 21.4%

Energy & Stability

Energy above hull
0.1581
eV/atom
Formation energy
-0.2429
eV/atom
Corrected total energy
-48.8013
eV
Raw total energy
-48.8013
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.6045
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B3C8_41_spg71

Decomposition

Rb2Ga3 Ga2Pt Rb

Computed at

2024-03-15 00:56:00.609892

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: agm008374147).

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 agm008374147
data_agm008374147
_cell_length_a     9.16977
_cell_length_b     9.16977
_cell_length_c     9.16977
_cell_angle_alpha  152.37443
_cell_angle_beta   94.77900
_cell_angle_gamma  91.75872
_cell_volume       347.04882
_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 0.50000 0.50000 0.00000 1.00000
  Rb2 Rb 0.79623 0.79623 0.00000 1.00000
  Rb3 Rb 0.20377 0.20377 0.00000 1.00000
  Ga1 Ga 0.91991 0.60199 0.31792 1.00000
  Ga2 Ga 0.08009 0.39801 0.68208 1.00000
  Ga3 Ga 0.28407 0.60199 0.68208 1.00000
  Ga4 Ga 0.71593 0.39801 0.31792 1.00000
  Ga5 Ga 0.10013 0.80931 0.29082 1.00000
  Ga6 Ga 0.89987 0.19069 0.70918 1.00000
  Ga7 Ga 0.51848 0.80931 0.70918 1.00000
  Ga8 Ga 0.48152 0.19069 0.29082 1.00000
  Pt1 Pt 0.00000 0.50000 0.50000 1.00000
  Pt2 Pt 0.24977 0.00000 0.24977 1.00000
  Pt3 Pt 0.75023 0.00000 0.75023 1.00000
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