Navigation

HEAS Data Platform · Materials Science Database

Dy3YHo7

Alexandria ALEX

Alex-ID: agm005963101 · Space group: P2/m (#10)

Basic Information

Formula
Dy3YHo7
Alex-ID
agm005963101
Elements
3
Sites
11
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
352.74
ų
Cell a
5.4945
Å
Cell b
9.8460
Å
Cell c
8.8577
Å
α angle
105.70
°
β angle
128.35
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3YHo7
Dy
3.00 · 27.3%
Y
1.00 · 9.1%
Ho
7.00 · 63.6%

Energy & Stability

Energy above hull
0.1537
eV/atom
Formation energy
0.1500
eV/atom
Corrected total energy
-50.6736
eV
Raw total energy
-50.6736
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
18.2452
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C7_250_spg10

Decomposition

Dy2Ho7 Y5Ho Dy5Ho

Computed at

2023-08-13 00:29:10.197781

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: agm005963101).

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 agm005963101
data_agm005963101
_cell_length_a     5.49454
_cell_length_b     9.84595
_cell_length_c     8.85772
_cell_angle_alpha  105.70463
_cell_angle_beta   128.34767
_cell_angle_gamma  89.98904
_cell_volume       352.74099
_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 0.28001 0.99838 0.78005 1.00000
  Dy2 Dy 0.00000 0.50000 0.00000 1.00000
  Dy3 Dy 0.71999 0.00162 0.21995 1.00000
  Y1 Y 0.50000 0.50000 0.50000 1.00000
  Ho1 Ho 0.91884 0.83052 0.91887 1.00000
  Ho2 Ho 0.85309 0.70961 0.35314 1.00000
  Ho3 Ho 0.67901 0.35893 0.17904 1.00000
  Ho4 Ho 0.32099 0.64107 0.82096 1.00000
  Ho5 Ho 0.50000 0.00000 0.50000 1.00000
  Ho6 Ho 0.14691 0.29039 0.64686 1.00000
  Ho7 Ho 0.08116 0.16948 0.08113 1.00000
Get direct link