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DyHo3Er8

Alexandria ALEX

Alex-ID: agm014980697 · Space group: Pm (#6)

Basic Information

Formula
DyHo3Er8
Alex-ID
agm014980697
Elements
3
Sites
12
Space group
Pm (#6)
Crystal system
monoclinic
Volume
366.47
ų
Cell a
9.3858
Å
Cell b
3.5404
Å
Cell c
11.7452
Å
α angle
90.00
°
β angle
110.12
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyHo3Er8
Dy
1.00 · 8.3%
Ho
3.00 · 25.0%
Er
8.00 · 66.7%

Energy & Stability

Energy above hull
0.0062
eV/atom
Formation energy
0.0008
eV/atom
Corrected total energy
-54.8324
eV
Raw total energy
-54.8324
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0192
eV
DOS at Fermi level
16.2803
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB3C8_863_spg6

Decomposition

Dy3(Ho2Er)2 Dy2Ho5Er2 HoEr5

Computed at

2025-02-04 12:21:20

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: agm014980697).

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 agm014980697
data_agm014980697
_cell_length_a     9.38585
_cell_length_b     3.54038
_cell_length_c     11.74518
_cell_angle_alpha  90.00000
_cell_angle_beta   110.11885
_cell_angle_gamma  90.00000
_cell_volume       366.47183
_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 0.92835 0.00000 0.26371 1.00000
  Ho1 Ho 0.06773 0.50000 0.07012 1.00000
  Ho2 Ho 0.12330 0.50000 0.79183 1.00000
  Ho3 Ho 0.81627 0.00000 0.81994 1.00000
  Er1 Er 0.67797 0.50000 0.01354 1.00000
  Er2 Er 0.31712 0.00000 0.32061 1.00000
  Er3 Er 0.62164 0.50000 0.29217 1.00000
  Er4 Er 0.87243 0.00000 0.54177 1.00000
  Er5 Er 0.17934 0.50000 0.51425 1.00000
  Er6 Er 0.42876 0.00000 0.76356 1.00000
  Er7 Er 0.37359 0.00000 0.04203 1.00000
  Er8 Er 0.56660 0.50000 0.56990 1.00000
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