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Dy3Er8

Alexandria ALEX

Alex-ID: agm008337050 · Space group: P1 (#1)

Basic Information

Formula
Dy3Er8
Alex-ID
agm008337050
Elements
2
Sites
11
Space group
P1 (#1)
Crystal system
triclinic
Volume
335.71
ų
Cell a
6.0736
Å
Cell b
7.8402
Å
Cell c
7.8474
Å
α angle
107.42
°
β angle
104.97
°
γ angle
97.41
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3Er8
Dy
3.00 · 27.3%
Er
8.00 · 72.7%

Energy & Stability

Energy above hull
0.0272
eV/atom
Formation energy
0.0229
eV/atom
Corrected total energy
-50.0626
eV
Raw total energy
-50.0626
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
15.0817
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B8_289_spg1

Decomposition

Dy5Er4 DyEr5

Computed at

2024-05-03 19:27:50.185747

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: agm008337050).

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 agm008337050
data_agm008337050
_cell_length_a     6.07359
_cell_length_b     7.84021
_cell_length_c     7.84741
_cell_angle_alpha  107.41653
_cell_angle_beta   104.97004
_cell_angle_gamma  97.41035
_cell_volume       335.71015
_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 0.54544 0.90914 0.72705 1.00000
  Dy2 Dy 0.90892 0.18221 0.18211 1.00000
  Dy3 Dy 0.09111 0.81773 0.90900 1.00000
  Er1 Er 0.81820 0.36360 0.81800 1.00000
  Er2 Er 0.18168 0.63641 0.27289 1.00000
  Er3 Er 0.45459 0.09089 0.36373 1.00000
  Er4 Er 0.72727 0.54524 0.45442 1.00000
  Er5 Er 0.36337 0.27345 0.00020 1.00000
  Er6 Er 0.99995 0.00027 0.54533 1.00000
  Er7 Er 0.63652 0.72673 0.09108 1.00000
  Er8 Er 0.27294 0.45434 0.63618 1.00000
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