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Dy6Ag8Ir

Alexandria ALEX

Alex-ID: agm071661949 · Space group: P-1 (#2)

Basic Information

Formula
Dy6Ag8Ir
Alex-ID
agm071661949
Elements
3
Sites
15
Space group
P-1 (#2)
Crystal system
triclinic
Volume
346.33
ų
Cell a
7.4707
Å
Cell b
7.4977
Å
Cell c
7.2163
Å
α angle
109.21
°
β angle
105.59
°
γ angle
102.53
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6Ag8Ir
Dy
6.00 · 40.0%
Ag
8.00 · 53.3%
Ir
1.00 · 6.7%

Energy & Stability

Energy above hull
0.0512
eV/atom
Formation energy
-0.3501
eV/atom
Corrected total energy
-64.5446
eV
Raw total energy
-64.5446
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.7383
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB6C8_0_spg148

Decomposition

Dy6Ag5Ir DyAg2 Dy5Ir3

Computed at

2024-10-05 00:31:56.805811

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: agm071661949).

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 agm071661949
data_agm071661949
_cell_length_a     7.47070
_cell_length_b     7.49774
_cell_length_c     7.21630
_cell_angle_alpha  109.20996
_cell_angle_beta   105.58915
_cell_angle_gamma  102.52705
_cell_volume       346.32840
_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 0.90633 0.59678 0.75228 1.00000
  Dy2 Dy 0.69572 0.86870 0.11707 1.00000
  Dy3 Dy 0.73282 0.06449 0.70571 1.00000
  Dy4 Dy 0.09367 0.40322 0.24772 1.00000
  Dy5 Dy 0.30428 0.13130 0.88293 1.00000
  Dy6 Dy 0.26718 0.93551 0.29429 1.00000
  Ag1 Ag 0.03391 0.21047 0.53458 1.00000
  Ag2 Ag 0.96609 0.78953 0.46542 1.00000
  Ag3 Ag 0.54242 0.61537 0.36772 1.00000
  Ag4 Ag 0.71396 0.44944 0.04521 1.00000
  Ag5 Ag 0.35239 0.74498 0.67390 1.00000
  Ag6 Ag 0.45758 0.38463 0.63228 1.00000
  Ag7 Ag 0.28604 0.55056 0.95479 1.00000
  Ag8 Ag 0.64761 0.25502 0.32610 1.00000
  Ir1 Ir 0.00000 0.00000 0.00000 1.00000
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