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Dy2Ho2Er5

Alexandria ALEX

Alex-ID: agm031615331 · Space group: C2/m (#12)

Basic Information

Formula
Dy2Ho2Er5
Alex-ID
agm031615331
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
275.66
ų
Cell a
9.3845
Å
Cell b
9.3845
Å
Cell c
9.3993
Å
α angle
64.59
°
β angle
115.41
°
γ angle
158.27
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Ho2Er5
Dy
2.00 · 22.2%
Ho
2.00 · 22.2%
Er
5.00 · 55.6%

Energy & Stability

Energy above hull
0.0029
eV/atom
Formation energy
-0.0022
eV/atom
Corrected total energy
-41.1984
eV
Raw total energy
-41.1984
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.8642
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

A2B2C5_207_spg12

Decomposition

Dy3(Ho2Er)2 HoEr5 Dy5Ho

Computed at

2025-01-02 08:38:01

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: agm031615331).

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 agm031615331
data_agm031615331
_cell_length_a     9.38448
_cell_length_b     9.38448
_cell_length_c     9.39935
_cell_angle_alpha  64.59040
_cell_angle_beta   115.40960
_cell_angle_gamma  158.27141
_cell_volume       275.65674
_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 0.85217 0.14783 0.33417 1.00000
  Dy2 Dy 0.14783 0.85217 0.66583 1.00000
  Ho1 Ho 0.33359 0.66641 0.99943 1.00000
  Ho2 Ho 0.66641 0.33359 0.00057 1.00000
  Er1 Er 0.81467 0.18533 0.66603 1.00000
  Er2 Er 0.18533 0.81467 0.33397 1.00000
  Er3 Er 0.51878 0.48122 0.33319 1.00000
  Er4 Er 0.48122 0.51878 0.66681 1.00000
  Er5 Er 0.00000 0.00000 0.00000 1.00000
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