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Y8Al4Co

Alexandria ALEX

Alex-ID: agm097630643 · Space group: P1 (#1)

Basic Information

Formula
Y8Al4Co
Alex-ID
agm097630643
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
336.96
ų
Cell a
3.7414
Å
Cell b
9.8095
Å
Cell c
10.3627
Å
α angle
62.42
°
β angle
90.97
°
γ angle
91.65
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y8Al4Co
Y
8.00 · 61.5%
Al
4.00 · 30.8%
Co
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1403
eV/atom
Formation energy
-0.1928
eV/atom
Corrected total energy
-76.3170
eV
Raw total energy
-76.3170
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.1523
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1504_spg8

Decomposition

YAl Y4AlCo Y2Al

Computed at

2025-06-02 04:42:16

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: agm097630643).

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 agm097630643
data_agm097630643
_cell_length_a     3.74141
_cell_length_b     9.80954
_cell_length_c     10.36267
_cell_angle_alpha  62.41678
_cell_angle_beta   90.96812
_cell_angle_gamma  91.64986
_cell_volume       336.95529
_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
  Y1 Y 0.82031 0.14034 0.15731 1.00000
  Y2 Y 0.80875 0.69203 0.18595 1.00000
  Y3 Y 0.79772 0.63988 0.66232 1.00000
  Y4 Y 0.71523 0.22266 0.61635 1.00000
  Y5 Y 0.34943 0.84724 0.37255 1.00000
  Y6 Y 0.30026 0.33425 0.29532 1.00000
  Y7 Y 0.30065 0.31717 0.85594 1.00000
  Y8 Y 0.30702 0.82478 0.83213 1.00000
  Al1 Al 0.82050 0.01965 0.93042 1.00000
  Al2 Al 0.80563 0.50305 0.99961 1.00000
  Al3 Al 0.24145 0.50344 0.49064 1.00000
  Al4 Al 0.91413 0.00387 0.50845 1.00000
  Co1 Co 0.31891 0.95164 0.09300 1.00000
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