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Dy2ErAg4

Alexandria ALEX

Alex-ID: agm005840323 · Space group: I4/mmm (#139)

Basic Information

Formula
Dy2ErAg4
Alex-ID
agm005840323
Elements
3
Sites
7
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
175.90
ų
Cell a
5.2483
Å
Cell b
5.2483
Å
Cell c
7.3861
Å
α angle
110.81
°
β angle
110.81
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2ErAg4
Er
1.00 · 14.3%
Ag
4.00 · 57.1%
Dy
2.00 · 28.6%

Energy & Stability

Energy above hull
0.2016
eV/atom
Formation energy
-0.1222
eV/atom
Corrected total energy
-26.0305
eV
Raw total energy
-26.0305
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.7876
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_560_spg139

Decomposition

DyErAg4 Dy4ErAg5 Dy2ErAg3

Computed at

2023-08-27 23:01:31

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: agm005840323).

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 agm005840323
data_agm005840323
_cell_length_a     5.24829
_cell_length_b     5.24829
_cell_length_c     7.38610
_cell_angle_alpha  110.81069
_cell_angle_beta   110.81068
_cell_angle_gamma  90.00000
_cell_volume       175.90221
_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
  Er1 Er 0.00000 0.00000 0.00000 1.00000
  Ag1 Ag 0.38126 0.88126 0.76252 1.00000
  Ag2 Ag 0.88126 0.38126 0.76252 1.00000
  Ag3 Ag 0.61874 0.11874 0.23748 1.00000
  Ag4 Ag 0.11874 0.61874 0.23748 1.00000
  Dy1 Dy 0.72633 0.72633 0.45265 1.00000
  Dy2 Dy 0.27367 0.27367 0.54735 1.00000
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