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Dy7Er5

Alexandria ALEX

Alex-ID: agm005538367 · Space group: C2/m (#12)

Basic Information

Formula
Dy7Er5
Alex-ID
agm005538367
Elements
2
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
369.91
ų
Cell a
3.5320
Å
Cell b
9.3467
Å
Cell c
11.9448
Å
α angle
73.78
°
β angle
81.50
°
γ angle
79.11
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy7Er5
Dy
7.00 · 58.3%
Er
5.00 · 41.7%

Energy & Stability

Energy above hull
0.0095
eV/atom
Formation energy
0.0057
eV/atom
Corrected total energy
-54.9718
eV
Raw total energy
-54.9718
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0098
eV
DOS at Fermi level
16.5201
Total magnetisation
-0.0003
μB

Additional Information

Prototype ID

A5B7_91_spg12

Decomposition

Dy5Er4 Dy7Er2

Computed at

2023-05-29 12:49:28.940381

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: agm005538367).

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 agm005538367
data_agm005538367
_cell_length_a     3.53195
_cell_length_b     9.34671
_cell_length_c     11.94478
_cell_angle_alpha  73.78049
_cell_angle_beta   81.49794
_cell_angle_gamma  79.10901
_cell_volume       369.91375
_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 0.63910 0.97209 0.74971 1.00000
  Dy2 Dy 0.36090 0.02791 0.25029 1.00000
  Dy3 Dy 0.02781 0.69421 0.25018 1.00000
  Dy4 Dy 0.97219 0.30579 0.74982 1.00000
  Dy5 Dy 0.33311 0.33298 0.00079 1.00000
  Dy6 Dy 0.50000 0.50000 0.50000 1.00000
  Dy7 Dy 0.66689 0.66702 0.99921 1.00000
  Er1 Er 0.83311 0.83347 0.50030 1.00000
  Er2 Er 0.16689 0.16653 0.49970 1.00000
  Er3 Er 0.69435 0.36080 0.25051 1.00000
  Er4 Er 0.30565 0.63920 0.74949 1.00000
  Er5 Er 0.00000 0.00000 0.00000 1.00000
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