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Dy7Ga6Ni5Ge3

Alexandria ALEX

Alex-ID: agm017262030 · Space group: P-6 (#174)

Alexandria Database API

Basic Information

Formula
Dy7Ga6Ni5Ge3
Alex-ID
agm017262030
Elements
4
Sites
21
Space group
P-6 (#174)
Crystal system
hexagonal
Volume
398.40
ų
Cell a
10.8368
Å
Cell b
10.8368
Å
Cell c
3.9173
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy7Ga6Ni5Ge3
Dy
7.00 · 33.3%
Ga
6.00 · 28.6%
Ni
5.00 · 23.8%
Ge
3.00 · 14.3%

Energy & Stability

Energy above hull
0.0155
eV/atom
Formation energy
-0.7022
eV/atom
Corrected total energy
-107.9202
eV
Raw total energy
-107.9202
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.0303
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B5C6D7_1_spg174

Decomposition

DyGa2Ni Dy2GaGe DyNiGe DyGaNi

Computed at

2025-03-05 07:32:55

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: agm017262030).

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 agm017262030
data_agm017262030
_cell_length_a     10.83676
_cell_length_b     10.83676
_cell_length_c     3.91734
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       398.40165
_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 0.00000 0.00000 0.00000 1.00000
  Dy2 Dy 0.38638 0.07974 0.00000 1.00000
  Dy3 Dy 0.69336 0.61362 0.00000 1.00000
  Dy4 Dy 0.92026 0.30664 0.00000 1.00000
  Dy5 Dy 0.61403 0.93265 0.00000 1.00000
  Dy6 Dy 0.31861 0.38597 0.00000 1.00000
  Dy7 Dy 0.06735 0.68139 0.00000 1.00000
  Ga1 Ga 0.51707 0.33978 0.50000 1.00000
  Ga2 Ga 0.82271 0.48293 0.50000 1.00000
  Ga3 Ga 0.66022 0.17729 0.50000 1.00000
  Ga4 Ga 0.47685 0.65005 0.50000 1.00000
  Ga5 Ga 0.17320 0.52315 0.50000 1.00000
  Ga6 Ga 0.34995 0.82680 0.50000 1.00000
  Ni1 Ni 0.66667 0.33333 0.00000 1.00000
  Ni2 Ni 0.33333 0.66667 0.00000 1.00000
  Ni3 Ni 0.83242 0.08986 0.50000 1.00000
  Ni4 Ni 0.25744 0.16758 0.50000 1.00000
  Ni5 Ni 0.91014 0.74256 0.50000 1.00000
  Ge1 Ge 0.15655 0.91544 0.50000 1.00000
  Ge2 Ge 0.75890 0.84345 0.50000 1.00000
  Ge3 Ge 0.08456 0.24110 0.50000 1.00000
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