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Dy3Er4

Alexandria ALEX

Alex-ID: agm009587429 · Space group: C2/m (#12)

Basic Information

Formula
Dy3Er4
Alex-ID
agm009587429
Elements
2
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
214.77
ų
Cell a
6.0743
Å
Cell b
6.0743
Å
Cell c
10.5648
Å
α angle
84.32
°
β angle
95.68
°
γ angle
146.36
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3Er4
Dy
3.00 · 42.9%
Er
4.00 · 57.1%

Energy & Stability

Energy above hull
0.0290
eV/atom
Formation energy
0.0249
eV/atom
Corrected total energy
-31.8885
eV
Raw total energy
-31.8885
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.5704
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4_19_spg8

Decomposition

Dy5Er4 DyEr5

Computed at

2025-05-02 02:03:11

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: agm009587429).

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 agm009587429
data_agm009587429
_cell_length_a     6.07428
_cell_length_b     6.07428
_cell_length_c     10.56482
_cell_angle_alpha  84.32076
_cell_angle_beta   95.67924
_cell_angle_gamma  146.36276
_cell_volume       214.77133
_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 0.00000 0.00000 0.50000 1.00000
  Dy2 Dy 0.14281 0.85719 0.07150 1.00000
  Dy3 Dy 0.85719 0.14281 0.92850 1.00000
  Er1 Er 0.42839 0.57161 0.21459 1.00000
  Er2 Er 0.57161 0.42839 0.78541 1.00000
  Er3 Er 0.71432 0.28568 0.35779 1.00000
  Er4 Er 0.28568 0.71432 0.64221 1.00000
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