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Dy2Ho4O

Alexandria ALEX

Alex-ID: agm096640965 · Space group: Pm (#6)

Basic Information

Formula
Dy2Ho4O
Alex-ID
agm096640965
Elements
3
Sites
7
Space group
Pm (#6)
Crystal system
monoclinic
Volume
196.92
ų
Cell a
3.5052
Å
Cell b
5.6858
Å
Cell c
9.8826
Å
α angle
88.90
°
β angle
90.00
°
γ angle
90.03
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Ho4O
Dy
2.00 · 28.6%
Ho
4.00 · 57.1%
O
1.00 · 14.3%

Energy & Stability

Energy above hull
0.1445
eV/atom
Formation energy
-0.8194
eV/atom
Corrected total energy
-38.2157
eV
Raw total energy
-37.5134
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0497
eV
DOS at Fermi level
9.1446
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_6183_spg47

Decomposition

Dy5Ho Dy2Ho7 Ho2O3

Computed at

2025-04-11 11:25:56

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: agm096640965).

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 agm096640965
data_agm096640965
_cell_length_a     3.50515
_cell_length_b     5.68583
_cell_length_c     9.88256
_cell_angle_alpha  88.90358
_cell_angle_beta   90.00078
_cell_angle_gamma  90.02808
_cell_volume       196.92061
_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 0.00034 0.98050 0.02032 1.00000
  Dy2 Dy 0.99957 0.48808 0.51771 1.00000
  Ho1 Ho 0.50142 0.48042 0.85973 1.00000
  Ho2 Ho 0.50033 0.98102 0.34642 1.00000
  Ho3 Ho 0.49881 0.98696 0.67360 1.00000
  Ho4 Ho 0.49921 0.48595 0.19777 1.00000
  O1 O 0.50033 0.09708 0.88446 1.00000
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