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Dy2Ho2U5

Alexandria ALEX

Alex-ID: agm009205663 · Space group: P-1 (#2)

Basic Information

Formula
Dy2Ho2U5
Alex-ID
agm009205663
Elements
3
Sites
9
Space group
P-1 (#2)
Crystal system
triclinic
Volume
236.14
ų
Cell a
5.7414
Å
Cell b
5.6826
Å
Cell c
8.0274
Å
α angle
103.56
°
β angle
107.09
°
γ angle
98.97
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Ho2U5
Dy
2.00 · 22.2%
Ho
2.00 · 22.2%
U
5.00 · 55.6%

Energy & Stability

Energy above hull
0.3084
eV/atom
Formation energy
0.3069
eV/atom
Corrected total energy
-72.0429
eV
Raw total energy
-72.0429
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0013
eV
DOS at Fermi level
23.2958
Total magnetisation
0.7168
μB

Additional Information

Prototype ID

A2B2C5_199_spg12

Decomposition

Dy2Ho7 Dy5Ho U

Computed at

2024-07-09 05:14:35.187870

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: agm009205663).

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 agm009205663
data_agm009205663
_cell_length_a     5.74141
_cell_length_b     5.68258
_cell_length_c     8.02738
_cell_angle_alpha  103.55539
_cell_angle_beta   107.09186
_cell_angle_gamma  98.96538
_cell_volume       236.13701
_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 0.81814 0.40116 0.77066 1.00000
  Dy2 Dy 0.18186 0.59884 0.22934 1.00000
  Ho1 Ho 0.78311 0.81695 0.53405 1.00000
  Ho2 Ho 0.21689 0.18305 0.46595 1.00000
  U1 U 0.39151 0.77383 0.78471 1.00000
  U2 U 0.60849 0.22617 0.21529 1.00000
  U3 U 0.33354 0.22241 0.89823 1.00000
  U4 U 0.66646 0.77759 0.10177 1.00000
  U5 U 0.00000 0.00000 0.00000 1.00000
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