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Dy4Y3Er2

Alexandria ALEX

Alex-ID: agm024697570 · Space group: C2/m (#12)

Basic Information

Formula
Dy4Y3Er2
Alex-ID
agm024697570
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
284.15
ų
Cell a
9.4841
Å
Cell b
9.4841
Å
Cell c
9.4883
Å
α angle
64.56
°
β angle
115.44
°
γ angle
158.27
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4Y3Er2
Dy
4.00 · 44.4%
Y
3.00 · 33.3%
Er
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0046
eV/atom
Formation energy
0.0002
eV/atom
Corrected total energy
-46.9276
eV
Raw total energy
-46.9276
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.7823
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C4_453_spg12

Decomposition

Dy5Er4 Dy7Er2 Y5Er

Computed at

2025-02-03 09:37:09

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: agm024697570).

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 agm024697570
data_agm024697570
_cell_length_a     9.48410
_cell_length_b     9.48410
_cell_length_c     9.48829
_cell_angle_alpha  64.55593
_cell_angle_beta   115.44407
_cell_angle_gamma  158.26897
_cell_volume       284.14922
_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 0.81435 0.18565 0.66513 1.00000
  Dy2 Dy 0.18565 0.81435 0.33487 1.00000
  Dy3 Dy 0.51896 0.48104 0.33564 1.00000
  Dy4 Dy 0.48104 0.51896 0.66436 1.00000
  Y1 Y 0.33320 0.66680 0.00055 1.00000
  Y2 Y 0.66680 0.33320 0.99945 1.00000
  Y3 Y 0.00000 0.00000 0.00000 1.00000
  Er1 Er 0.85212 0.14788 0.33456 1.00000
  Er2 Er 0.14788 0.85212 0.66544 1.00000
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