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Dy5(Y6Ho)2

Alexandria ALEX

Alex-ID: agm005651109 · Space group: P-1 (#2)

Basic Information

Formula
Dy5(Y6Ho)2
Alex-ID
agm005651109
Elements
3
Sites
19
Space group
P-1 (#2)
Crystal system
triclinic
Volume
604.76
ų
Cell a
6.1650
Å
Cell b
12.8094
Å
Cell c
19.7652
Å
α angle
157.08
°
β angle
93.00
°
γ angle
85.36
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5(Y6Ho)2
Dy
5.00 · 26.3%
Y
12.00 · 63.2%
Ho
2.00 · 10.5%

Energy & Stability

Energy above hull
0.0256
eV/atom
Formation energy
0.0209
eV/atom
Corrected total energy
-109.3348
eV
Raw total energy
-109.3348
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
27.4639
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5C12_344_spg2

Decomposition

Y5Ho Dy5Ho DyY5

Computed at

2023-06-26 13:21:53.707623

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: agm005651109).

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 agm005651109
data_agm005651109
_cell_length_a     6.16496
_cell_length_b     12.80943
_cell_length_c     19.76522
_cell_angle_alpha  157.08484
_cell_angle_beta   93.00024
_cell_angle_gamma  85.35999
_cell_volume       604.76446
_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 0.42218 0.63266 0.65870 1.00000
  Dy2 Dy 0.15689 0.73618 0.18407 1.00000
  Dy3 Dy 0.00000 0.00000 0.50000 1.00000
  Dy4 Dy 0.84311 0.26382 0.81593 1.00000
  Dy5 Dy 0.57782 0.36734 0.34130 1.00000
  Y1 Y 0.10631 0.15848 0.28972 1.00000
  Y2 Y 0.31499 0.47372 0.86847 1.00000
  Y3 Y 0.78926 0.68514 0.92130 1.00000
  Y4 Y 0.05153 0.57779 0.39378 1.00000
  Y5 Y 0.52745 0.78930 0.44743 1.00000
  Y6 Y 0.36824 0.05254 0.76318 1.00000
  Y7 Y 0.63176 0.94746 0.23682 1.00000
  Y8 Y 0.94847 0.42221 0.60622 1.00000
  Y9 Y 0.47255 0.21070 0.55257 1.00000
  Y10 Y 0.68501 0.52628 0.13153 1.00000
  Y11 Y 0.21074 0.31486 0.07870 1.00000
  Y12 Y 0.89369 0.84152 0.71028 1.00000
  Ho1 Ho 0.73611 0.10398 0.02602 1.00000
  Ho2 Ho 0.26389 0.89602 0.97398 1.00000
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