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RbPt

Alexandria ALEX

Alex-ID: agm005432708 · Space group: Cm (#8)

Basic Information

Formula
RbPt
Alex-ID
agm005432708
Elements
2
Sites
6
Space group
Cm (#8)
Crystal system
monoclinic
Volume
220.04
ų
Cell a
9.3039
Å
Cell b
9.3039
Å
Cell c
5.2673
Å
α angle
90.27
°
β angle
90.27
°
γ angle
28.86
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
RbPt
Rb
3.00 · 50.0%
Pt
3.00 · 50.0%

Energy & Stability

Energy above hull
0.1556
eV/atom
Formation energy
0.0173
eV/atom
Corrected total energy
-21.0633
eV
Raw total energy
-21.0633
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.5132
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB_3279_spg8

Decomposition

RbPt2 Rb

Computed at

2023-03-21 19:01:24.762538

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: agm005432708).

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 agm005432708
data_agm005432708
_cell_length_a     9.30392
_cell_length_b     9.30392
_cell_length_c     5.26726
_cell_angle_alpha  90.27289
_cell_angle_beta   90.27289
_cell_angle_gamma  28.85561
_cell_volume       220.04049
_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 0.97456 0.97456 0.13089 1.00000
  Rb2 Rb 0.74025 0.74025 0.15342 1.00000
  Rb3 Rb 0.52912 0.52912 0.64867 1.00000
  Pt1 Pt 0.36817 0.36817 0.37877 1.00000
  Pt2 Pt 0.86618 0.86618 0.63489 1.00000
  Pt3 Pt 0.35505 0.35505 0.88670 1.00000
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