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Dy3(Zn2Co)2

Alexandria ALEX

Alex-ID: agm005674144 · Space group: C2/m (#12)

Basic Information

Formula
Dy3(Zn2Co)2
Alex-ID
agm005674144
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
169.05
ų
Cell a
4.1429
Å
Cell b
5.7662
Å
Cell c
8.0743
Å
α angle
72.22
°
β angle
75.13
°
γ angle
68.95
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3(Zn2Co)2
Dy
3.00 · 33.3%
Zn
4.00 · 44.4%
Co
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0523
eV/atom
Formation energy
-0.2721
eV/atom
Corrected total energy
-35.6202
eV
Raw total energy
-35.6202
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.8371
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C4_272_spg12

Decomposition

DyZn2 Dy2ZnCo2 DyCo3

Computed at

2023-06-26 21:36:29.467135

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: agm005674144).

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 agm005674144
data_agm005674144
_cell_length_a     4.14293
_cell_length_b     5.76619
_cell_length_c     8.07427
_cell_angle_alpha  72.21924
_cell_angle_beta   75.13448
_cell_angle_gamma  68.94626
_cell_volume       169.05409
_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 0.31294 0.73455 0.63958 1.00000
  Dy2 Dy 0.00000 0.00000 0.00000 1.00000
  Dy3 Dy 0.68706 0.26545 0.36042 1.00000
  Zn1 Zn 0.28294 0.37531 0.05882 1.00000
  Zn2 Zn 0.71706 0.62469 0.94118 1.00000
  Zn3 Zn 0.02732 0.30793 0.63743 1.00000
  Zn4 Zn 0.97268 0.69207 0.36257 1.00000
  Co1 Co 0.39997 0.93896 0.26110 1.00000
  Co2 Co 0.60003 0.06104 0.73890 1.00000
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