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Dy5Er3

Alexandria ALEX

Alex-ID: agm016562071 · Space group: Pbam (#55)

Alexandria Database API

Basic Information

Formula
Dy5Er3
Alex-ID
agm016562071
Elements
2
Sites
16
Space group
Pbam (#55)
Crystal system
orthorhombic
Volume
493.70
ų
Cell a
3.5368
Å
Cell b
11.3907
Å
Cell c
12.2548
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5Er3
Dy
10.00 · 62.5%
Er
6.00 · 37.5%

Energy & Stability

Energy above hull
0.0114
eV/atom
Formation energy
0.0078
eV/atom
Corrected total energy
-73.2900
eV
Raw total energy
-73.2900
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0025
eV
DOS at Fermi level
20.7906
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

A3B5_361_spg55

Decomposition

Dy5Er4 Dy7Er2

Computed at

2025-02-27 04:49:08

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: agm016562071).

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 agm016562071
data_agm016562071
_cell_length_a     3.53680
_cell_length_b     11.39073
_cell_length_c     12.25477
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       493.70485
_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 0.24992 0.33348 1.00000
  Dy2 Dy 0.00000 0.75008 0.66652 1.00000
  Dy3 Dy 0.00000 0.25008 0.83348 1.00000
  Dy4 Dy 0.00000 0.74992 0.16652 1.00000
  Dy5 Dy 0.50000 0.24969 0.08345 1.00000
  Dy6 Dy 0.50000 0.75031 0.91655 1.00000
  Dy7 Dy 0.50000 0.25031 0.58345 1.00000
  Dy8 Dy 0.50000 0.74969 0.41655 1.00000
  Dy9 Dy 0.00000 0.50000 0.00000 1.00000
  Dy10 Dy 0.00000 0.00000 0.50000 1.00000
  Er1 Er 0.50000 0.99989 0.24966 1.00000
  Er2 Er 0.50000 0.00011 0.75034 1.00000
  Er3 Er 0.50000 0.50011 0.74966 1.00000
  Er4 Er 0.50000 0.49989 0.25034 1.00000
  Er5 Er 0.00000 0.50000 0.50000 1.00000
  Er6 Er 0.00000 0.00000 0.00000 1.00000
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