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Dy7Er

Alexandria ALEX

Alex-ID: agm024665233 · Space group: Cm (#8)

Basic Information

Formula
Dy7Er
Alex-ID
agm024665233
Elements
2
Sites
8
Space group
Cm (#8)
Crystal system
monoclinic
Volume
252.99
ų
Cell a
6.6840
Å
Cell b
6.6840
Å
Cell c
12.4832
Å
α angle
62.17
°
β angle
117.83
°
γ angle
148.76
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy7Er
Dy
7.00 · 87.5%
Er
1.00 · 12.5%

Energy & Stability

Energy above hull
0.0092
eV/atom
Formation energy
0.0076
eV/atom
Corrected total energy
-36.7285
eV
Raw total energy
-36.7285
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0138
eV
DOS at Fermi level
13.9292
Total magnetisation
0.0006
μB

Additional Information

Prototype ID

AB7_67_spg71

Decomposition

Dy7Er2 Dy

Computed at

2025-02-25 03:22:19

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: agm024665233).

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 agm024665233
data_agm024665233
_cell_length_a     6.68396
_cell_length_b     6.68396
_cell_length_c     12.48316
_cell_angle_alpha  62.17038
_cell_angle_beta   117.82962
_cell_angle_gamma  148.75847
_cell_volume       252.98814
_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 0.12571 0.87429 0.97979 1.00000
  Dy2 Dy 0.12497 0.87503 0.47893 1.00000
  Dy3 Dy 0.62535 0.37465 0.72966 1.00000
  Dy4 Dy 0.62431 0.37569 0.22859 1.00000
  Dy5 Dy 0.37480 0.62520 0.27022 1.00000
  Dy6 Dy 0.37537 0.62463 0.77149 1.00000
  Dy7 Dy 0.87503 0.12497 0.52077 1.00000
  Er1 Er 0.87509 0.12491 0.02055 1.00000
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