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Dy4Y5Ho2

Alexandria ALEX

Alex-ID: agm005641749 · Space group: C2/m (#12)

Basic Information

Formula
Dy4Y5Ho2
Alex-ID
agm005641749
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
348.66
ų
Cell a
3.5475
Å
Cell b
9.4009
Å
Cell c
11.7846
Å
α angle
106.42
°
β angle
81.40
°
γ angle
112.19
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4Y5Ho2
Dy
4.00 · 36.4%
Y
5.00 · 45.5%
Ho
2.00 · 18.2%

Energy & Stability

Energy above hull
0.0260
eV/atom
Formation energy
0.0215
eV/atom
Corrected total energy
-59.6511
eV
Raw total energy
-59.6511
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
15.1906
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B4C5_541_spg12

Decomposition

Dy2Ho7 Y5Ho Dy5Ho

Computed at

2023-06-22 20:02:47.845582

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: agm005641749).

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 agm005641749
data_agm005641749
_cell_length_a     3.54745
_cell_length_b     9.40095
_cell_length_c     11.78459
_cell_angle_alpha  106.41662
_cell_angle_beta   81.39901
_cell_angle_gamma  112.19045
_cell_volume       348.65919
_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 0.77225 0.45392 0.36348 1.00000
  Dy2 Dy 0.31899 0.36471 0.09151 1.00000
  Dy3 Dy 0.22775 0.54608 0.63652 1.00000
  Dy4 Dy 0.68101 0.63529 0.90849 1.00000
  Y1 Y 0.95399 0.09006 0.27283 1.00000
  Y2 Y 0.04601 0.90994 0.72717 1.00000
  Y3 Y 0.58996 0.81646 0.45259 1.00000
  Y4 Y 0.50000 0.00000 0.00000 1.00000
  Y5 Y 0.41004 0.18354 0.54741 1.00000
  Ho1 Ho 0.86477 0.27478 0.82016 1.00000
  Ho2 Ho 0.13523 0.72522 0.17984 1.00000
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