Navigation

HEAS Data Platform · Materials Science Database

Dy8GaNi4

Alexandria ALEX

Alex-ID: agm097545019 · Space group: Pm (#6)

Basic Information

Formula
Dy8GaNi4
Alex-ID
agm097545019
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
305.08
ų
Cell a
9.0738
Å
Cell b
3.7868
Å
Cell c
9.2785
Å
α angle
90.00
°
β angle
106.88
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8GaNi4
Dy
8.00 · 61.5%
Ga
1.00 · 7.7%
Ni
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0842
eV/atom
Formation energy
-0.3064
eV/atom
Corrected total energy
-66.9779
eV
Raw total energy
-66.9779
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.5546
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1240_spg6

Decomposition

Dy3Ni Dy3Ga2 DyNi

Computed at

2025-06-17 05:35:28

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: agm097545019).

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 agm097545019
data_agm097545019
_cell_length_a     9.07380
_cell_length_b     3.78677
_cell_length_c     9.27848
_cell_angle_alpha  90.00000
_cell_angle_beta   106.87936
_cell_angle_gamma  90.00000
_cell_volume       305.07714
_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 0.88343 0.50000 0.16692 1.00000
  Dy2 Dy 0.27686 0.50000 0.23708 1.00000
  Dy3 Dy 0.40118 0.50000 0.63025 1.00000
  Dy4 Dy 0.74682 0.50000 0.52811 1.00000
  Dy5 Dy 0.08029 0.00000 0.46165 1.00000
  Dy6 Dy 0.57455 0.00000 0.18843 1.00000
  Dy7 Dy 0.69589 0.00000 0.85569 1.00000
  Dy8 Dy 0.23687 0.00000 0.87710 1.00000
  Ga1 Ga 0.96751 0.50000 0.87858 1.00000
  Ni1 Ni 0.05024 0.00000 0.08289 1.00000
  Ni2 Ni 0.50899 0.50000 0.96288 1.00000
  Ni3 Ni 0.49757 0.00000 0.46360 1.00000
  Ni4 Ni 0.07981 0.50000 0.66681 1.00000
Get direct link