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Dy11In9Ni4

Alexandria ALEX

Alex-ID: agm005731111 · Space group: Cmmm (#65)

Basic Information

Formula
Dy11In9Ni4
Alex-ID
agm005731111
Elements
3
Sites
24
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
572.18
ų
Cell a
3.6506
Å
Cell b
13.0304
Å
Cell c
13.0304
Å
α angle
112.62
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy11In9Ni4
Dy
11.00 · 45.8%
In
9.00 · 37.5%
Ni
4.00 · 16.7%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5127
eV/atom
Corrected total energy
-111.0089
eV
Raw total energy
-111.0089
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0022
eV
DOS at Fermi level
14.4474
Total magnetisation
-0.0002
μB

Additional Information

Prototype ID

A4B9C11_1_spg65

Decomposition

Dy11In9Ni4

Computed at

2023-07-11 03:45:25.372322

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: agm005731111).

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 agm005731111
data_agm005731111
_cell_length_a     3.65060
_cell_length_b     13.03043
_cell_length_c     13.03043
_cell_angle_alpha  112.61589
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       572.17911
_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 0.58305 0.91952 1.00000
  Dy2 Dy 0.00000 0.41695 0.08048 1.00000
  Dy3 Dy 0.00000 0.91952 0.58305 1.00000
  Dy4 Dy 0.00000 0.08048 0.41695 1.00000
  Dy5 Dy 0.00000 0.62567 0.37433 1.00000
  Dy6 Dy 0.00000 0.37433 0.62567 1.00000
  Dy7 Dy 0.00000 0.83942 0.16058 1.00000
  Dy8 Dy 0.00000 0.16058 0.83942 1.00000
  Dy9 Dy 0.00000 0.00000 0.00000 1.00000
  Dy10 Dy 0.00000 0.68747 0.68747 1.00000
  Dy11 Dy 0.00000 0.31253 0.31253 1.00000
  In1 In 0.50000 0.63197 0.15755 1.00000
  In2 In 0.50000 0.36803 0.84245 1.00000
  In3 In 0.50000 0.15755 0.63197 1.00000
  In4 In 0.50000 0.84245 0.36803 1.00000
  In5 In 0.50000 0.78097 0.92313 1.00000
  In6 In 0.50000 0.21903 0.07687 1.00000
  In7 In 0.50000 0.92313 0.78097 1.00000
  In8 In 0.50000 0.07687 0.21903 1.00000
  In9 In 0.50000 0.50000 0.50000 1.00000
  Ni1 Ni 0.50000 0.55032 0.75214 1.00000
  Ni2 Ni 0.50000 0.44968 0.24786 1.00000
  Ni3 Ni 0.50000 0.75214 0.55032 1.00000
  Ni4 Ni 0.50000 0.24786 0.44968 1.00000
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