Navigation

HEAS Data Platform · Materials Science Database

Y8AlAu4

Alexandria ALEX

Alex-ID: agm097640700 · Space group: Pm (#6)

Basic Information

Formula
Y8AlAu4
Alex-ID
agm097640700
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
349.99
ų
Cell a
4.7774
Å
Cell b
9.0401
Å
Cell c
9.8377
Å
α angle
55.46
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y8AlAu4
Y
8.00 · 61.5%
Al
1.00 · 7.7%
Au
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1345
eV/atom
Formation energy
-0.5193
eV/atom
Corrected total energy
-75.3104
eV
Raw total energy
-75.3104
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.9408
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1802_spg8

Decomposition

Y2Au YAl2 YAu

Computed at

2025-06-02 09:42:31

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: agm097640700).

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 agm097640700
data_agm097640700
_cell_length_a     4.77735
_cell_length_b     9.04015
_cell_length_c     9.83773
_cell_angle_alpha  55.46251
_cell_angle_beta   89.99698
_cell_angle_gamma  90.00059
_cell_volume       349.99013
_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 0.69233 0.26538 0.12958 1.00000
  Y2 Y 0.69240 0.62424 0.18670 1.00000
  Y3 Y 0.69218 0.62861 0.67296 1.00000
  Y4 Y 0.69226 0.24826 0.62670 1.00000
  Y5 Y 0.19223 0.89062 0.33582 1.00000
  Y6 Y 0.19230 0.28166 0.36367 1.00000
  Y7 Y 0.19230 0.28006 0.86672 1.00000
  Y8 Y 0.19215 0.87806 0.75270 1.00000
  Al1 Al 0.69241 0.01910 0.01472 1.00000
  Au1 Au 0.19247 0.86841 0.04918 1.00000
  Au2 Au 0.19240 0.50081 0.99713 1.00000
  Au3 Au 0.19230 0.50090 0.50614 1.00000
  Au4 Au 0.69226 0.01388 0.49797 1.00000
Get direct link