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Co3Ag2Pt5

Alexandria ALEX

Alex-ID: agm012993472 · Space group: Ibam (#72)

Alexandria Database API

Basic Information

Formula
Co3Ag2Pt5
Alex-ID
agm012993472
Elements
3
Sites
20
Space group
Ibam (#72)
Crystal system
orthorhombic
Volume
317.53
ų
Cell a
8.4642
Å
Cell b
8.4642
Å
Cell c
8.4642
Å
α angle
143.82
°
β angle
114.91
°
γ angle
76.80
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co3Ag2Pt5
Co
6.00 · 30.0%
Ag
4.00 · 20.0%
Pt
10.00 · 50.0%

Energy & Stability

Energy above hull
0.3230
eV/atom
Formation energy
0.2548
eV/atom
Corrected total energy
-109.9326
eV
Raw total energy
-109.9326
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
22.5008
Total magnetisation
15.0612
μB

Additional Information

Prototype ID

A2B3C5_1_spg72

Decomposition

Ag3Pt2 Co3Pt CoPt2

Computed at

2024-05-28 18:33:24.384987

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: agm012993472).

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 agm012993472
data_agm012993472
_cell_length_a     8.46423
_cell_length_b     8.46423
_cell_length_c     8.46423
_cell_angle_alpha  143.82166
_cell_angle_beta   114.90718
_cell_angle_gamma  76.80105
_cell_volume       317.53405
_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 0.59124 0.66160 0.92965 1.00000
  Co2 Co 0.73195 0.16160 0.57035 1.00000
  Co3 Co 0.40876 0.33840 0.07035 1.00000
  Co4 Co 0.26805 0.83840 0.42965 1.00000
  Co5 Co 0.00000 0.25000 0.25000 1.00000
  Co6 Co 0.00000 0.75000 0.75000 1.00000
  Ag1 Ag 0.53874 0.81913 0.71960 1.00000
  Ag2 Ag 0.09953 0.31913 0.78040 1.00000
  Ag3 Ag 0.46126 0.18087 0.28040 1.00000
  Ag4 Ag 0.90047 0.68087 0.21960 1.00000
  Pt1 Pt 0.26677 0.53587 0.73090 1.00000
  Pt2 Pt 0.80498 0.03587 0.76910 1.00000
  Pt3 Pt 0.73323 0.46413 0.26910 1.00000
  Pt4 Pt 0.19502 0.96413 0.23090 1.00000
  Pt5 Pt 0.81577 0.06577 0.25000 1.00000
  Pt6 Pt 0.18423 0.93423 0.75000 1.00000
  Pt7 Pt 0.50000 0.75000 0.25000 1.00000
  Pt8 Pt 0.50000 0.25000 0.75000 1.00000
  Pt9 Pt 0.18423 0.43423 0.25000 1.00000
  Pt10 Pt 0.81577 0.56577 0.75000 1.00000
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