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Dy3Ho4

Alexandria ALEX

Alex-ID: agm005533693 · Space group: C2/m (#12)

Basic Information

Formula
Dy3Ho4
Alex-ID
agm005533693
Elements
2
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
218.89
ų
Cell a
5.8544
Å
Cell b
8.9814
Å
Cell c
5.5160
Å
α angle
112.69
°
β angle
122.05
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3Ho4
Dy
3.00 · 42.9%
Ho
4.00 · 57.1%

Energy & Stability

Energy above hull
0.1342
eV/atom
Formation energy
0.1309
eV/atom
Corrected total energy
-31.2091
eV
Raw total energy
-31.2091
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
16.0400
Total magnetisation
-0.0019
μB

Additional Information

Prototype ID

A3B4_229_spg12

Decomposition

Dy5Ho Dy2Ho7

Computed at

2023-05-27 19:54:00.948268

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: agm005533693).

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 agm005533693
data_agm005533693
_cell_length_a     5.85445
_cell_length_b     8.98139
_cell_length_c     5.51597
_cell_angle_alpha  112.69052
_cell_angle_beta   122.05153
_cell_angle_gamma  90.00000
_cell_volume       218.88971
_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 0.00000 0.00000 0.00000 1.00000
  Dy2 Dy 0.57175 0.71514 0.14350 1.00000
  Dy3 Dy 0.42825 0.28486 0.85649 1.00000
  Ho1 Ho 0.85626 0.56988 0.71251 1.00000
  Ho2 Ho 0.14374 0.43012 0.28749 1.00000
  Ho3 Ho 0.71494 0.14336 0.42988 1.00000
  Ho4 Ho 0.28506 0.85664 0.57012 1.00000
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