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Dy2Er

Alexandria ALEX

Alex-ID: agm008140519 · Space group: Cmcm (#63)

Basic Information

Formula
Dy2Er
Alex-ID
agm008140519
Elements
2
Sites
6
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
189.25
ų
Cell a
9.5718
Å
Cell b
9.5718
Å
Cell c
5.5868
Å
α angle
90.00
°
β angle
90.00
°
γ angle
158.30
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Er
Dy
4.00 · 66.7%
Er
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0067
eV/atom
Formation energy
0.0033
eV/atom
Corrected total energy
-27.5207
eV
Raw total energy
-27.5207
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.5176
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2_867_spg12

Decomposition

Dy5Er4 Dy7Er2

Computed at

2025-04-13 21:58:14

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: agm008140519).

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 agm008140519
data_agm008140519
_cell_length_a     9.57175
_cell_length_b     9.57175
_cell_length_c     5.58675
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  158.30085
_cell_volume       189.24778
_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 0.22193 0.77807 0.25000 1.00000
  Dy2 Dy 0.44441 0.55559 0.75000 1.00000
  Dy3 Dy 0.55559 0.44441 0.25000 1.00000
  Dy4 Dy 0.77807 0.22193 0.75000 1.00000
  Er1 Er 0.88898 0.11102 0.25000 1.00000
  Er2 Er 0.11102 0.88898 0.75000 1.00000
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