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Dy5(YEr)2

Alexandria ALEX

Alex-ID: agm009740128 · Space group: C2/m (#12)

Basic Information

Formula
Dy5(YEr)2
Alex-ID
agm009740128
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
282.30
ų
Cell a
6.1330
Å
Cell b
6.1330
Å
Cell c
14.5857
Å
α angle
69.47
°
β angle
69.47
°
γ angle
33.57
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5(YEr)2
Dy
5.00 · 55.6%
Y
2.00 · 22.2%
Er
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0240
eV/atom
Formation energy
0.0201
eV/atom
Corrected total energy
-44.8894
eV
Raw total energy
-44.8894
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.1226
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C5_164_spg12

Decomposition

Dy5Er4 Dy7Er2 Y5Er

Computed at

2024-05-10 18:53:41.182659

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: agm009740128).

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 agm009740128
data_agm009740128
_cell_length_a     6.13302
_cell_length_b     6.13302
_cell_length_c     14.58574
_cell_angle_alpha  69.47163
_cell_angle_beta   69.47163
_cell_angle_gamma  33.57231
_cell_volume       282.30121
_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 0.66537 0.66537 0.33554 1.00000
  Dy2 Dy 0.33463 0.33463 0.66446 1.00000
  Dy3 Dy 0.44295 0.44295 0.22345 1.00000
  Dy4 Dy 0.55705 0.55705 0.77655 1.00000
  Dy5 Dy 0.00000 0.00000 0.00000 1.00000
  Y1 Y 0.77872 0.77872 0.88757 1.00000
  Y2 Y 0.22128 0.22128 0.11243 1.00000
  Er1 Er 0.11149 0.11149 0.55561 1.00000
  Er2 Er 0.88851 0.88851 0.44439 1.00000
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