Navigation

HEAS Data Platform · Materials Science Database

Dy3(YEr)4

Alexandria ALEX

Alex-ID: agm009043138 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Dy3(YEr)4
Alex-ID
agm009043138
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
355.14
ų
Cell a
6.0433
Å
Cell b
6.0433
Å
Cell c
17.7973
Å
α angle
80.76
°
β angle
80.76
°
γ angle
33.66
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3(YEr)4
Dy
3.00 · 27.3%
Y
4.00 · 36.4%
Er
4.00 · 36.4%

Energy & Stability

Energy above hull
0.1239
eV/atom
Formation energy
0.1187
eV/atom
Corrected total energy
-56.6086
eV
Raw total energy
-56.6086
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
20.2034
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C4_636_spg12

Decomposition

Dy5Er4 YEr5 Y5Er

Computed at

2024-05-11 02:01:32.192462

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: agm009043138).

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 agm009043138
data_agm009043138
_cell_length_a     6.04325
_cell_length_b     6.04325
_cell_length_c     17.79728
_cell_angle_alpha  80.76364
_cell_angle_beta   80.76364
_cell_angle_gamma  33.65837
_cell_volume       355.13942
_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 0.84522 0.84522 0.55138 1.00000
  Dy2 Dy 0.15478 0.15478 0.44862 1.00000
  Dy3 Dy 0.00000 0.00000 0.00000 1.00000
  Y1 Y 0.33777 0.33777 0.72439 1.00000
  Y2 Y 0.66223 0.66223 0.27561 1.00000
  Y3 Y 0.90632 0.90632 0.35404 1.00000
  Y4 Y 0.09368 0.09368 0.64596 1.00000
  Er1 Er 0.41023 0.41023 0.17761 1.00000
  Er2 Er 0.70766 0.70766 0.08279 1.00000
  Er3 Er 0.29234 0.29234 0.91721 1.00000
  Er4 Er 0.58977 0.58977 0.82239 1.00000
Get direct link