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Dy11Mg9Zn4

Alexandria ALEX

Alex-ID: agm005732905 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
Dy11Mg9Zn4
Alex-ID
agm005732905
Elements
3
Sites
24
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
615.74
ų
Cell a
3.7574
Å
Cell b
13.3723
Å
Cell c
13.3723
Å
α angle
113.59
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy11Mg9Zn4
Dy
11.00 · 45.8%
Mg
9.00 · 37.5%
Zn
4.00 · 16.7%

Energy & Stability

Energy above hull
0.0185
eV/atom
Formation energy
-0.1526
eV/atom
Corrected total energy
-73.7685
eV
Raw total energy
-73.7685
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
28.4452
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A4B9C11_8_spg65

Decomposition

Dy3MgZn2 DyMgZn DyMg

Computed at

2023-07-11 02:16:04.144455

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: agm005732905).

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 agm005732905
data_agm005732905
_cell_length_a     3.75740
_cell_length_b     13.37232
_cell_length_c     13.37232
_cell_angle_alpha  113.59089
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       615.74164
_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 0.58396 0.92238 1.00000
  Dy2 Dy 0.00000 0.41604 0.07762 1.00000
  Dy3 Dy 0.00000 0.92238 0.58396 1.00000
  Dy4 Dy 0.00000 0.07762 0.41604 1.00000
  Dy5 Dy 0.00000 0.63850 0.36150 1.00000
  Dy6 Dy 0.00000 0.36150 0.63850 1.00000
  Dy7 Dy 0.00000 0.84106 0.15894 1.00000
  Dy8 Dy 0.00000 0.15894 0.84106 1.00000
  Dy9 Dy 0.00000 0.00000 0.00000 1.00000
  Dy10 Dy 0.00000 0.71115 0.71115 1.00000
  Dy11 Dy 0.00000 0.28885 0.28885 1.00000
  Mg1 Mg 0.50000 0.63329 0.14722 1.00000
  Mg2 Mg 0.50000 0.36671 0.85278 1.00000
  Mg3 Mg 0.50000 0.14722 0.63329 1.00000
  Mg4 Mg 0.50000 0.85278 0.36671 1.00000
  Mg5 Mg 0.50000 0.78618 0.93549 1.00000
  Mg6 Mg 0.50000 0.21382 0.06451 1.00000
  Mg7 Mg 0.50000 0.93549 0.78618 1.00000
  Mg8 Mg 0.50000 0.06451 0.21382 1.00000
  Mg9 Mg 0.50000 0.50000 0.50000 1.00000
  Zn1 Zn 0.50000 0.54966 0.73934 1.00000
  Zn2 Zn 0.50000 0.45034 0.26066 1.00000
  Zn3 Zn 0.50000 0.73934 0.54966 1.00000
  Zn4 Zn 0.50000 0.26066 0.45034 1.00000
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