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Dy11(Ni2Ge3)2

Alexandria ALEX

Alex-ID: agm008577439 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Dy11(Ni2Ge3)2
Alex-ID
agm008577439
Elements
3
Sites
21
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
474.50
ų
Cell a
9.0529
Å
Cell b
9.0529
Å
Cell c
13.4487
Å
α angle
74.33
°
β angle
74.33
°
γ angle
26.62
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy11(Ni2Ge3)2
Dy
11.00 · 52.4%
Ni
4.00 · 19.0%
Ge
6.00 · 28.6%

Energy & Stability

Energy above hull
0.0015
eV/atom
Formation energy
-0.7362
eV/atom
Corrected total energy
-116.9418
eV
Raw total energy
-116.9418
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.8839
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

A4B6C11_1_spg12

Decomposition

Dy3NiGe2 Dy5Ge3 DyNi

Computed at

2024-03-07 08:42:31.936800

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: agm008577439).

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 agm008577439
data_agm008577439
_cell_length_a     9.05290
_cell_length_b     9.05290
_cell_length_c     13.44866
_cell_angle_alpha  74.33150
_cell_angle_beta   74.33150
_cell_angle_gamma  26.62254
_cell_volume       474.49984
_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 0.90464 0.90464 0.28421 1.00000
  Dy2 Dy 0.85922 0.85922 0.85079 1.00000
  Dy3 Dy 0.21463 0.21463 0.39980 1.00000
  Dy4 Dy 0.54875 0.54875 0.37481 1.00000
  Dy5 Dy 0.34052 0.34052 0.09216 1.00000
  Dy6 Dy 0.45125 0.45125 0.62519 1.00000
  Dy7 Dy 0.00000 0.00000 0.00000 1.00000
  Dy8 Dy 0.14078 0.14078 0.14921 1.00000
  Dy9 Dy 0.78537 0.78537 0.60020 1.00000
  Dy10 Dy 0.65948 0.65948 0.90784 1.00000
  Dy11 Dy 0.09536 0.09536 0.71579 1.00000
  Ni1 Ni 0.75081 0.75081 0.05118 1.00000
  Ni2 Ni 0.94074 0.94074 0.47556 1.00000
  Ni3 Ni 0.05926 0.05926 0.52444 1.00000
  Ni4 Ni 0.24919 0.24919 0.94882 1.00000
  Ge1 Ge 0.63154 0.63154 0.55118 1.00000
  Ge2 Ge 0.26343 0.26343 0.76141 1.00000
  Ge3 Ge 0.73657 0.73657 0.23859 1.00000
  Ge4 Ge 0.36846 0.36846 0.44882 1.00000
  Ge5 Ge 0.51163 0.51163 0.15093 1.00000
  Ge6 Ge 0.48837 0.48837 0.84907 1.00000
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