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Dy8GaPd4

Alexandria ALEX

Alex-ID: agm098098515 · Space group: Pm (#6)

Basic Information

Formula
Dy8GaPd4
Alex-ID
agm098098515
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
330.07
ų
Cell a
4.3827
Å
Cell b
8.6238
Å
Cell c
9.2305
Å
α angle
108.89
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8GaPd4
Dy
8.00 · 61.5%
Ga
1.00 · 7.7%
Pd
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1094
eV/atom
Formation energy
-0.5675
eV/atom
Corrected total energy
-68.0075
eV
Raw total energy
-68.0075
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.7058
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_640_spg1

Decomposition

Dy3Pd Dy3Ga2 DyPd

Computed at

2025-06-15 12:48:35

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: agm098098515).

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 agm098098515
data_agm098098515
_cell_length_a     4.38266
_cell_length_b     8.62383
_cell_length_c     9.23052
_cell_angle_alpha  108.89405
_cell_angle_beta   90.00310
_cell_angle_gamma  90.00221
_cell_volume       330.07275
_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 0.30769 0.08727 0.43688 1.00000
  Dy2 Dy 0.30771 0.20940 0.86185 1.00000
  Dy3 Dy 0.30776 0.56267 0.19720 1.00000
  Dy4 Dy 0.30771 0.74190 0.83617 1.00000
  Dy5 Dy 0.80763 0.27984 0.22319 1.00000
  Dy6 Dy 0.80772 0.41444 0.65571 1.00000
  Dy7 Dy 0.80767 0.84592 0.15533 1.00000
  Dy8 Dy 0.80776 0.74258 0.51579 1.00000
  Ga1 Ga 0.30757 0.05400 0.10327 1.00000
  Pd1 Pd 0.80762 0.97739 0.89683 1.00000
  Pd2 Pd 0.80768 0.08512 0.63388 1.00000
  Pd3 Pd 0.80780 0.49266 0.98285 1.00000
  Pd4 Pd 0.30769 0.50680 0.50105 1.00000
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