Navigation

HEAS Data Platform · Materials Science Database

Dy8AlBi2

Alexandria ALEX

Alex-ID: agm003533972 · Space group: C2/m (#12)

Basic Information

Formula
Dy8AlBi2
Alex-ID
agm003533972
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
327.96
ų
Cell a
5.1272
Å
Cell b
6.8068
Å
Cell c
9.9711
Å
α angle
102.34
°
β angle
104.90
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8AlBi2
Dy
8.00 · 72.7%
Al
1.00 · 9.1%
Bi
2.00 · 18.2%

Energy & Stability

Energy above hull
0.1380
eV/atom
Formation energy
-0.2744
eV/atom
Corrected total energy
-51.3556
eV
Raw total energy
-51.3555
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0208
eV
DOS at Fermi level
12.1432
Total magnetisation
0.5843
μB

Additional Information

Prototype ID

AB2C8_277_spg12

Decomposition

Dy2Al Dy5Bi3 Dy

Computed at

2022-03-13 16:29:38.165019

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: agm003533972).

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 agm003533972
data_agm003533972
_cell_length_a     5.12718
_cell_length_b     6.80683
_cell_length_c     9.97114
_cell_angle_alpha  102.34438
_cell_angle_beta   104.89812
_cell_angle_gamma  90.00000
_cell_volume       327.96072
_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 0.41061 0.52096 0.82123 1.00000
  Dy2 Dy 0.65489 0.02628 0.30977 1.00000
  Dy3 Dy 0.78552 0.65954 0.57104 1.00000
  Dy4 Dy 0.98688 0.23193 0.97375 1.00000
  Dy5 Dy 0.21448 0.34046 0.42896 1.00000
  Dy6 Dy 0.34511 0.97372 0.69023 1.00000
  Dy7 Dy 0.58939 0.47904 0.17877 1.00000
  Dy8 Dy 0.01313 0.76807 0.02625 1.00000
  Al1 Al 0.50000 0.00000 0.00000 1.00000
  Bi1 Bi 0.82191 0.22224 0.64381 1.00000
  Bi2 Bi 0.17809 0.77776 0.35619 1.00000
Get direct link