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Dy8Y3Ho2

Alexandria ALEX

Alex-ID: agm010228629 · Space group: P-1 (#2)

Basic Information

Formula
Dy8Y3Ho2
Alex-ID
agm010228629
Elements
3
Sites
13
Space group
P-1 (#2)
Crystal system
triclinic
Volume
409.92
ų
Cell a
6.1433
Å
Cell b
6.1388
Å
Cell c
11.2137
Å
α angle
100.47
°
β angle
89.95
°
γ angle
99.54
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8Y3Ho2
Dy
8.00 · 61.5%
Y
3.00 · 23.1%
Ho
2.00 · 15.4%

Energy & Stability

Energy above hull
0.0258
eV/atom
Formation energy
0.0220
eV/atom
Corrected total energy
-65.0899
eV
Raw total energy
-65.0899
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
19.2935
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C8_689_spg12

Decomposition

Y5Ho Dy5Ho DyY5

Computed at

2024-05-06 00:19:15.163786

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: agm010228629).

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 agm010228629
data_agm010228629
_cell_length_a     6.14333
_cell_length_b     6.13882
_cell_length_c     11.21371
_cell_angle_alpha  100.47228
_cell_angle_beta   89.94873
_cell_angle_gamma  99.53853
_cell_volume       409.91997
_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 0.30800 0.84745 0.88313 1.00000
  Dy2 Dy 0.69200 0.15255 0.11687 1.00000
  Dy3 Dy 0.38437 0.30799 0.72963 1.00000
  Dy4 Dy 0.61563 0.69201 0.27037 1.00000
  Dy5 Dy 0.84465 0.07725 0.80728 1.00000
  Dy6 Dy 0.92261 0.53880 0.65380 1.00000
  Dy7 Dy 0.07739 0.46120 0.34620 1.00000
  Dy8 Dy 0.15535 0.92275 0.19272 1.00000
  Y1 Y 0.00000 0.00000 0.50000 1.00000
  Y2 Y 0.76928 0.61645 0.96158 1.00000
  Y3 Y 0.23072 0.38355 0.03842 1.00000
  Ho1 Ho 0.53894 0.23161 0.42308 1.00000
  Ho2 Ho 0.46106 0.76839 0.57692 1.00000
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