Navigation

HEAS Data Platform · Materials Science Database

Al2CoPt

Alexandria ALEX

Alex-ID: agm005706650 · Space group: C2/m (#12)

Basic Information

Formula
Al2CoPt
Alex-ID
agm005706650
Elements
3
Sites
8
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
106.98
ų
Cell a
3.0786
Å
Cell b
4.1525
Å
Cell c
8.6018
Å
α angle
98.44
°
β angle
100.30
°
γ angle
89.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Al2CoPt
Al
4.00 · 50.0%
Co
2.00 · 25.0%
Pt
2.00 · 25.0%

Energy & Stability

Energy above hull
0.0671
eV/atom
Formation energy
-0.7466
eV/atom
Corrected total energy
-47.3784
eV
Raw total energy
-47.3783
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0191
eV
DOS at Fermi level
2.8031
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_528_spg139

Decomposition

AlCo AlPt

Computed at

2023-07-14 15:29:44.110291

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: agm005706650).

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 agm005706650
data_agm005706650
_cell_length_a     3.07855
_cell_length_b     4.15255
_cell_length_c     8.60182
_cell_angle_alpha  98.44164
_cell_angle_beta   100.30045
_cell_angle_gamma  89.98056
_cell_volume       106.98192
_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
  Al1 Al 0.82072 0.65567 0.64135 1.00000
  Al2 Al 0.17927 0.34431 0.35865 1.00000
  Al3 Al 0.05524 0.78202 0.11047 1.00000
  Al4 Al 0.94476 0.21797 0.88954 1.00000
  Co1 Co 0.55933 0.28324 0.11871 1.00000
  Co2 Co 0.44067 0.71675 0.88130 1.00000
  Pt1 Pt 0.32171 0.16470 0.64329 1.00000
  Pt2 Pt 0.67828 0.83529 0.35670 1.00000
Get direct link