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Dy5(Y6Ho)2

Alexandria ALEX

Alex-ID: agm003369367 · Space group: C2/m (#12)

Basic Information

Formula
Dy5(Y6Ho)2
Alex-ID
agm003369367
Elements
3
Sites
19
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
621.14
ų
Cell a
9.3127
Å
Cell b
9.0419
Å
Cell c
8.6098
Å
α angle
91.58
°
β angle
90.00
°
γ angle
121.00
°

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
0.1287
eV/atom
Formation energy
0.1240
eV/atom
Corrected total energy
-107.3762
eV
Raw total energy
-107.3762
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
28.3923
Total magnetisation
0.0005
μB

Additional Information

Prototype ID

A2B5C12_28_spg12

Decomposition

Y5Ho Dy5Ho DyY5

Computed at

2022-02-08 12:45:54.779003

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: agm003369367).

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 agm003369367
data_agm003369367
_cell_length_a     9.31266
_cell_length_b     9.04191
_cell_length_c     8.60977
_cell_angle_alpha  91.57937
_cell_angle_beta   90.00000
_cell_angle_gamma  120.99555
_cell_volume       621.13640
_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 0.23012 0.46023 0.57182 1.00000
  Dy2 Dy 0.29618 0.59237 0.97999 1.00000
  Dy3 Dy 0.00000 0.00000 0.50000 1.00000
  Dy4 Dy 0.70382 0.40763 0.02001 1.00000
  Dy5 Dy 0.76988 0.53977 0.42818 1.00000
  Y1 Y 0.92362 0.84724 0.12669 1.00000
  Y2 Y 0.02991 0.70041 0.76238 1.00000
  Y3 Y 0.67050 0.70041 0.76238 1.00000
  Y4 Y 0.17908 0.74164 0.33314 1.00000
  Y5 Y 0.56256 0.74164 0.33314 1.00000
  Y6 Y 0.44229 0.88459 0.66635 1.00000
  Y7 Y 0.55771 0.11541 0.33365 1.00000
  Y8 Y 0.82092 0.25836 0.66686 1.00000
  Y9 Y 0.43744 0.25836 0.66686 1.00000
  Y10 Y 0.97009 0.29959 0.23762 1.00000
  Y11 Y 0.32950 0.29959 0.23762 1.00000
  Y12 Y 0.07638 0.15276 0.87331 1.00000
  Ho1 Ho 0.67226 0.00000 1.00000 1.00000
  Ho2 Ho 0.32774 1.00000 0.00000 1.00000
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