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Dy2Y2Er5

Alexandria ALEX

Alex-ID: agm010063540 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Dy2Y2Er5
Alex-ID
agm010063540
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
280.46
ų
Cell a
9.4463
Å
Cell b
9.4463
Å
Cell c
9.4470
Å
α angle
64.54
°
β angle
64.54
°
γ angle
21.72
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Y2Er5
Dy
2.00 · 22.2%
Y
2.00 · 22.2%
Er
5.00 · 55.6%

Energy & Stability

Energy above hull
0.0061
eV/atom
Formation energy
0.0008
eV/atom
Corrected total energy
-44.9403
eV
Raw total energy
-44.9403
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.3245
Total magnetisation
0.0003
μB

Additional Information

Prototype ID

A2B2C5_207_spg12

Decomposition

Dy5Er4 YEr5 Y5Er

Computed at

2024-05-10 18:52:13.421437

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: agm010063540).

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 agm010063540
data_agm010063540
_cell_length_a     9.44628
_cell_length_b     9.44628
_cell_length_c     9.44700
_cell_angle_alpha  64.54245
_cell_angle_beta   64.54245
_cell_angle_gamma  21.71720
_cell_volume       280.45959
_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 0.81429 0.81429 0.33328 1.00000
  Dy2 Dy 0.18571 0.18571 0.66672 1.00000
  Y1 Y 0.48133 0.48133 0.33420 1.00000
  Y2 Y 0.51867 0.51867 0.66580 1.00000
  Er1 Er 0.66676 0.66676 0.00037 1.00000
  Er2 Er 0.33324 0.33324 0.99963 1.00000
  Er3 Er 0.85103 0.85103 0.66812 1.00000
  Er4 Er 0.14897 0.14897 0.33188 1.00000
  Er5 Er 0.00000 0.00000 0.00000 1.00000
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