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Dy2Ho

Alexandria ALEX

Alex-ID: agm027436616 · Space group: P-1 (#2)

Basic Information

Formula
Dy2Ho
Alex-ID
agm027436616
Elements
2
Sites
12
Space group
P-1 (#2)
Crystal system
triclinic
Volume
373.72
ų
Cell a
6.1549
Å
Cell b
7.1222
Å
Cell c
8.7693
Å
α angle
101.71
°
β angle
96.72
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Ho
Dy
8.00 · 66.7%
Ho
4.00 · 33.3%

Energy & Stability

Energy above hull
0.0045
eV/atom
Formation energy
0.0013
eV/atom
Corrected total energy
-55.1288
eV
Raw total energy
-55.1288
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0108
eV
DOS at Fermi level
16.4594
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2_211_spg64

Decomposition

Dy5Ho Dy2Ho7

Computed at

2024-12-21 08:39:09

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: agm027436616).

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 agm027436616
data_agm027436616
_cell_length_a     6.15491
_cell_length_b     7.12223
_cell_length_c     8.76931
_cell_angle_alpha  101.71436
_cell_angle_beta   96.71762
_cell_angle_gamma  89.99679
_cell_volume       373.71577
_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 0.88884 0.58343 0.83419 1.00000
  Dy2 Dy 0.50000 0.00000 0.50000 1.00000
  Dy3 Dy 0.00026 0.24972 0.50004 1.00000
  Dy4 Dy 0.99974 0.75028 0.49996 1.00000
  Dy5 Dy 0.11116 0.41657 0.16581 1.00000
  Dy6 Dy 0.38878 0.83344 0.83411 1.00000
  Dy7 Dy 0.50000 0.50000 0.50000 1.00000
  Dy8 Dy 0.61122 0.16656 0.16589 1.00000
  Ho1 Ho 0.61131 0.66657 0.16597 1.00000
  Ho2 Ho 0.88863 0.08348 0.83399 1.00000
  Ho3 Ho 0.11137 0.91652 0.16601 1.00000
  Ho4 Ho 0.38869 0.33343 0.83403 1.00000
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