Navigation

HEAS Data Platform · Materials Science Database

Dy2MgZnCo

Alexandria ALEX

Alex-ID: agm046478628 · Space group: P2_1/m (#11)

Basic Information

Formula
Dy2MgZnCo
Alex-ID
agm046478628
Elements
4
Sites
10
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
219.75
ų
Cell a
7.6667
Å
Cell b
3.8701
Å
Cell c
7.8995
Å
α angle
90.00
°
β angle
110.35
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2MgZnCo
Dy
4.00 · 40.0%
Mg
2.00 · 20.0%
Zn
2.00 · 20.0%
Co
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0162
eV/atom
Formation energy
-0.2338
eV/atom
Corrected total energy
-40.7457
eV
Raw total energy
-40.7457
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0010
eV
DOS at Fermi level
8.7569
Total magnetisation
0.3806
μB

Additional Information

Prototype ID

ABCD2_28_spg11

Decomposition

DyMgZn Dy4Mg3Co2 Dy2ZnCo2 Dy4ZnCo

Computed at

2025-01-26 06:37:33

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: agm046478628).

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 agm046478628
data_agm046478628
_cell_length_a     7.66665
_cell_length_b     3.87012
_cell_length_c     7.89950
_cell_angle_alpha  90.00000
_cell_angle_beta   110.35174
_cell_angle_gamma  90.00000
_cell_volume       219.75364
_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 0.66050 0.25000 0.90720 1.00000
  Dy2 Dy 0.03799 0.25000 0.71219 1.00000
  Dy3 Dy 0.33950 0.75000 0.09280 1.00000
  Dy4 Dy 0.96201 0.75000 0.28781 1.00000
  Mg1 Mg 0.66893 0.75000 0.57001 1.00000
  Mg2 Mg 0.33107 0.25000 0.42999 1.00000
  Zn1 Zn 0.33637 0.75000 0.69072 1.00000
  Zn2 Zn 0.66363 0.25000 0.30928 1.00000
  Co1 Co 0.93316 0.75000 0.92023 1.00000
  Co2 Co 0.06684 0.25000 0.07977 1.00000
Get direct link