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Dy(HoTm)5

Alexandria ALEX

Alex-ID: agm003674643 · Space group: Immm (#71)

Basic Information

Formula
Dy(HoTm)5
Alex-ID
agm003674643
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
346.37
ų
Cell a
5.8262
Å
Cell b
9.7593
Å
Cell c
6.8498
Å
α angle
110.27
°
β angle
90.00
°
γ angle
107.37
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy(HoTm)5
Dy
1.00 · 9.1%
Ho
5.00 · 45.5%
Tm
5.00 · 45.5%

Energy & Stability

Energy above hull
0.2994
eV/atom
Formation energy
0.2926
eV/atom
Corrected total energy
-46.6356
eV
Raw total energy
-46.6356
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0070
eV
DOS at Fermi level
17.6113
Total magnetisation
0.8002
μB

Additional Information

Prototype ID

AB5C5_33_spg71

Decomposition

HoTm2 HoTm5 Dy2Ho7

Computed at

2022-04-09 11:45:49.831755

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: agm003674643).

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 agm003674643
data_agm003674643
_cell_length_a     5.82624
_cell_length_b     9.75930
_cell_length_c     6.84979
_cell_angle_alpha  110.26789
_cell_angle_beta   90.00000
_cell_angle_gamma  107.36734
_cell_volume       346.37344
_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 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.82120 0.64240 0.06650 1.00000
  Ho2 Ho 0.82107 0.64213 0.57506 1.00000
  Ho3 Ho 0.50000 0.00000 0.00000 1.00000
  Ho4 Ho 0.17893 0.35787 0.42494 1.00000
  Ho5 Ho 0.17880 0.35760 0.93350 1.00000
  Tm1 Tm 0.66892 0.33784 0.17039 1.00000
  Tm2 Tm 0.62357 0.24715 0.62540 1.00000
  Tm3 Tm 0.00000 0.00000 0.50000 1.00000
  Tm4 Tm 0.37643 0.75285 0.37460 1.00000
  Tm5 Tm 0.33108 0.66216 0.82961 1.00000
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