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Dy2ZnGaNi

Alexandria ALEX

Alex-ID: agm005002201 · Space group: P2_1/m (#11)

Basic Information

Formula
Dy2ZnGaNi
Alex-ID
agm005002201
Elements
4
Sites
10
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
204.99
ų
Cell a
4.2880
Å
Cell b
7.1169
Å
Cell c
7.1417
Å
α angle
109.86
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2ZnGaNi
Dy
4.00 · 40.0%
Zn
2.00 · 20.0%
Ga
2.00 · 20.0%
Ni
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0433
eV/atom
Formation energy
-0.4862
eV/atom
Corrected total energy
-43.4597
eV
Raw total energy
-43.4597
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.0838
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABCD2_1539_spg11

Decomposition

DyZnNi DyGa

Computed at

2022-07-04 17:16:19.079942

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: agm005002201).

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 agm005002201
data_agm005002201
_cell_length_a     4.28801
_cell_length_b     7.11687
_cell_length_c     7.14167
_cell_angle_alpha  109.85627
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       204.98645
_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 0.75000 0.87527 0.65511 1.00000
  Dy2 Dy 0.75000 0.70840 0.05334 1.00000
  Dy3 Dy 0.25000 0.12473 0.34489 1.00000
  Dy4 Dy 0.25000 0.29160 0.94666 1.00000
  Zn1 Zn 0.25000 0.66306 0.34765 1.00000
  Zn2 Zn 0.75000 0.33694 0.65235 1.00000
  Ga1 Ga 0.25000 0.56285 0.68425 1.00000
  Ga2 Ga 0.75000 0.43715 0.31575 1.00000
  Ni1 Ni 0.25000 0.90228 0.93171 1.00000
  Ni2 Ni 0.75000 0.09772 0.06829 1.00000
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