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Dy8Al2Bi

Alexandria ALEX

Alex-ID: agm003533973 · Space group: C2/m (#12)

Basic Information

Formula
Dy8Al2Bi
Alex-ID
agm003533973
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
322.79
ų
Cell a
4.9738
Å
Cell b
6.9973
Å
Cell c
9.8682
Å
α angle
103.33
°
β angle
104.60
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8Al2Bi
Dy
8.00 · 72.7%
Al
2.00 · 18.2%
Bi
1.00 · 9.1%

Energy & Stability

Energy above hull
0.0969
eV/atom
Formation energy
-0.2278
eV/atom
Corrected total energy
-50.7081
eV
Raw total energy
-50.7081
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.6256
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_259_spg8

Decomposition

Dy2Al Dy5Bi3 Dy

Computed at

2022-03-13 15:22:12.667855

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: agm003533973).

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 agm003533973
data_agm003533973
_cell_length_a     4.97377
_cell_length_b     6.99735
_cell_length_c     9.86823
_cell_angle_alpha  103.32982
_cell_angle_beta   104.59643
_cell_angle_gamma  90.00000
_cell_volume       322.79068
_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
  Dy1 Dy 0.40276 0.53059 0.80553 1.00000
  Dy2 Dy 0.66320 0.96934 0.32641 1.00000
  Dy3 Dy 0.78862 0.68821 0.57723 1.00000
  Dy4 Dy 0.96945 0.24670 0.93890 1.00000
  Dy5 Dy 0.21138 0.31179 0.42277 1.00000
  Dy6 Dy 0.33680 0.03066 0.67359 1.00000
  Dy7 Dy 0.59724 0.46941 0.19447 1.00000
  Dy8 Dy 0.03055 0.75330 0.06110 1.00000
  Al1 Al 0.81155 0.26047 0.62310 1.00000
  Al2 Al 0.18845 0.73953 0.37690 1.00000
  Bi1 Bi 0.50000 0.00000 0.00000 1.00000
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