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Ac(DyNi2)2

Alexandria ALEX

Alex-ID: agm012098511 · Space group: Immm (#71)

Alexandria Database API

Basic Information

Formula
Ac(DyNi2)2
Alex-ID
agm012098511
Elements
3
Sites
7
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
141.76
ų
Cell a
9.1420
Å
Cell b
9.1420
Å
Cell c
9.1420
Å
α angle
154.65
°
β angle
154.29
°
γ angle
36.42
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac(DyNi2)2
Ac
1.00 · 14.3%
Dy
2.00 · 28.6%
Ni
4.00 · 57.1%

Energy & Stability

Energy above hull
0.0207
eV/atom
Formation energy
-0.3787
eV/atom
Corrected total energy
-39.1024
eV
Raw total energy
-39.1024
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.8092
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_74_spg44

Decomposition

Dy15Ni32 DyNi AcNi

Computed at

2025-05-26 00:19:58

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: agm012098511).

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 agm012098511
data_agm012098511
_cell_length_a     9.14204
_cell_length_b     9.14204
_cell_length_c     9.14204
_cell_angle_alpha  154.64593
_cell_angle_beta   154.28721
_cell_angle_gamma  36.42266
_cell_volume       141.76323
_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
  Ac1 Ac 0.50000 0.00000 0.50000 1.00000
  Dy1 Dy 0.81258 0.81258 0.00000 1.00000
  Dy2 Dy 0.18742 0.18742 0.00000 1.00000
  Ni1 Ni 0.64995 0.64995 0.00000 1.00000
  Ni2 Ni 0.35005 0.35005 0.00000 1.00000
  Ni3 Ni 0.07182 0.57182 0.50000 1.00000
  Ni4 Ni 0.92818 0.42818 0.50000 1.00000
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