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Dy8ZnIn4

Alexandria ALEX

Alex-ID: agm097874590 · Space group: Pm (#6)

Basic Information

Formula
Dy8ZnIn4
Alex-ID
agm097874590
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
371.83
ų
Cell a
9.6181
Å
Cell b
4.6914
Å
Cell c
10.0078
Å
α angle
90.00
°
β angle
124.57
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8ZnIn4
Dy
8.00 · 61.5%
Zn
1.00 · 7.7%
In
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1317
eV/atom
Formation energy
-0.2345
eV/atom
Corrected total energy
-52.2349
eV
Raw total energy
-52.2349
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0163
eV
DOS at Fermi level
14.5260
Total magnetisation
-0.2762
μB

Additional Information

Prototype ID

AB4C8_799_spg65

Decomposition

Dy3ZnIn Dy5In3

Computed at

2025-06-20 00:24:14

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: agm097874590).

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 agm097874590
data_agm097874590
_cell_length_a     9.61808
_cell_length_b     4.69142
_cell_length_c     10.00780
_cell_angle_alpha  90.00000
_cell_angle_beta   124.57205
_cell_angle_gamma  90.00000
_cell_volume       371.83450
_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 0.81712 0.50000 0.13085 1.00000
  Dy2 Dy 0.36847 0.50000 0.14911 1.00000
  Dy3 Dy 0.41316 0.50000 0.71884 1.00000
  Dy4 Dy 0.71770 0.50000 0.58966 1.00000
  Dy5 Dy 0.13299 0.00000 0.44959 1.00000
  Dy6 Dy 0.71097 0.00000 0.33807 1.00000
  Dy7 Dy 0.72384 0.00000 0.83246 1.00000
  Dy8 Dy 0.08966 0.00000 0.79281 1.00000
  Zn1 Zn 0.98677 0.50000 0.93648 1.00000
  In1 In 0.10617 0.00000 0.12943 1.00000
  In2 In 0.48748 0.00000 0.96184 1.00000
  In3 In 0.45087 0.00000 0.44257 1.00000
  In4 In 0.99479 0.50000 0.52829 1.00000
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