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Dy4YHo7

Alexandria ALEX

Alex-ID: agm003665559 · Space group: C2/m (#12)

Basic Information

Formula
Dy4YHo7
Alex-ID
agm003665559
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
389.77
ų
Cell a
5.8366
Å
Cell b
11.4912
Å
Cell c
6.6795
Å
α angle
83.52
°
β angle
64.09
°
γ angle
75.29
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4YHo7
Dy
4.00 · 33.3%
Y
1.00 · 8.3%
Ho
7.00 · 58.3%

Energy & Stability

Energy above hull
0.2953
eV/atom
Formation energy
0.2917
eV/atom
Corrected total energy
-53.4273
eV
Raw total energy
-53.4273
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0009
eV
DOS at Fermi level
20.2964
Total magnetisation
0.3344
μB

Additional Information

Prototype ID

AB4C7_85_spg12

Decomposition

Dy2Ho7 Y5Ho Dy5Ho

Computed at

2022-04-20 18:49:29.617773

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: agm003665559).

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 agm003665559
data_agm003665559
_cell_length_a     5.83665
_cell_length_b     11.49123
_cell_length_c     6.67955
_cell_angle_alpha  83.51721
_cell_angle_beta   64.09348
_cell_angle_gamma  75.28798
_cell_volume       389.76587
_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 0.63558 0.22470 0.50413 1.00000
  Dy2 Dy 0.36442 0.77530 0.49587 1.00000
  Dy3 Dy 0.75370 0.68207 0.81052 1.00000
  Dy4 Dy 0.24630 0.31793 0.18948 1.00000
  Y1 Y 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.78710 0.92349 0.50232 1.00000
  Ho2 Ho 0.21290 0.07651 0.49768 1.00000
  Ho3 Ho 0.06014 0.67632 0.20340 1.00000
  Ho4 Ho 0.93986 0.32368 0.79660 1.00000
  Ho5 Ho 0.36603 0.50127 0.76667 1.00000
  Ho6 Ho 0.50000 0.00000 0.00000 1.00000
  Ho7 Ho 0.63397 0.49873 0.23333 1.00000
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