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Ru3Pt2

Alexandria ALEX

Alex-ID: agm005506030 · Space group: Fdd2 (#43)

Basic Information

Formula
Ru3Pt2
Alex-ID
agm005506030
Elements
2
Sites
10
Space group
Fdd2 (#43)
Crystal system
orthorhombic
Volume
148.08
ų
Cell a
8.1343
Å
Cell b
7.1365
Å
Cell c
5.1761
Å
α angle
81.00
°
β angle
60.06
°
γ angle
38.94
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ru3Pt2
Ru
6.00 · 60.0%
Pt
4.00 · 40.0%

Energy & Stability

Energy above hull
0.1868
eV/atom
Formation energy
0.1734
eV/atom
Corrected total energy
-78.2734
eV
Raw total energy
-78.2734
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0291
eV
DOS at Fermi level
11.4145
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

A2B3_55_spg43

Decomposition

RuPt Ru

Computed at

2023-03-20 12:42:26.683961

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: agm005506030).

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 agm005506030
data_agm005506030
_cell_length_a     8.13427
_cell_length_b     7.13647
_cell_length_c     5.17612
_cell_angle_alpha  81.00156
_cell_angle_beta   60.05860
_cell_angle_gamma  38.93983
_cell_volume       148.08165
_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
  Ru1 Ru 0.72045 0.46963 0.34559 1.00000
  Ru2 Ru 0.46434 0.34559 0.46963 1.00000
  Ru3 Ru 0.78037 0.52955 0.78566 1.00000
  Ru4 Ru 0.90441 0.78566 0.52955 1.00000
  Ru5 Ru 0.07030 0.92970 0.92970 1.00000
  Ru6 Ru 0.32030 0.17970 0.17970 1.00000
  Pt1 Pt 0.19248 0.90446 0.35063 1.00000
  Pt2 Pt 0.55243 0.35063 0.90446 1.00000
  Pt3 Pt 0.34554 0.05752 0.69757 1.00000
  Pt4 Pt 0.89937 0.69757 0.05752 1.00000
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