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Co(PdPt)2

Alexandria ALEX

Alex-ID: agm013989693 · Space group: Immm (#71)

Basic Information

Formula
Co(PdPt)2
Alex-ID
agm013989693
Elements
3
Sites
5
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
73.69
ų
Cell a
7.3371
Å
Cell b
7.3371
Å
Cell c
7.3371
Å
α angle
158.40
°
β angle
149.50
°
γ angle
37.68
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co(PdPt)2
Co
1.00 · 20.0%
Pd
2.00 · 40.0%
Pt
2.00 · 40.0%

Energy & Stability

Energy above hull
0.0423
eV/atom
Formation energy
-0.0286
eV/atom
Corrected total energy
-29.8285
eV
Raw total energy
-29.8285
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0021
eV
DOS at Fermi level
6.2300
Total magnetisation
3.3026
μB

Additional Information

Prototype ID

AB2C2_419_spg12

Decomposition

Co(PdPt)2

Computed at

2025-04-16 00:15:20

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: agm013989693).

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 agm013989693
data_agm013989693
_cell_length_a     7.33708
_cell_length_b     7.33708
_cell_length_c     7.33708
_cell_angle_alpha  158.40147
_cell_angle_beta   149.49995
_cell_angle_gamma  37.68210
_cell_volume       73.69160
_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
  Co1 Co 0.50000 0.50000 0.00000 1.00000
  Pd1 Pd 0.69818 0.69818 0.00000 1.00000
  Pd2 Pd 0.30182 0.30182 0.00000 1.00000
  Pt1 Pt 0.09505 0.09505 0.00000 1.00000
  Pt2 Pt 0.90495 0.90495 0.00000 1.00000
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