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HEAS Data Platform · Materials Science Database

Dy5Ho2Tm5

Alexandria ALEX

Alex-ID: agm005650128 · Space group: C2/m (#12)

Basic Information

Formula
Dy5Ho2Tm5
Alex-ID
agm005650128
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
366.90
ų
Cell a
5.5382
Å
Cell b
6.5269
Å
Cell c
11.7539
Å
α angle
74.36
°
β angle
76.37
°
γ angle
64.90
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5Ho2Tm5
Dy
5.00 · 41.7%
Ho
2.00 · 16.7%
Tm
5.00 · 41.7%

Energy & Stability

Energy above hull
0.0797
eV/atom
Formation energy
0.0732
eV/atom
Corrected total energy
-53.6548
eV
Raw total energy
-53.6548
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0046
eV
DOS at Fermi level
21.1227
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

A2B5C5_28_spg12

Decomposition

Dy5Ho HoTm5

Computed at

2023-06-18 23:59:48.972278

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: agm005650128).

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 agm005650128
data_agm005650128
_cell_length_a     5.53815
_cell_length_b     6.52690
_cell_length_c     11.75392
_cell_angle_alpha  74.36446
_cell_angle_beta   76.37376
_cell_angle_gamma  64.89643
_cell_volume       366.90131
_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 0.50000 0.50000 0.50000 1.00000
  Dy2 Dy 0.28649 0.39075 0.03627 1.00000
  Dy3 Dy 0.45260 0.89105 0.20375 1.00000
  Dy4 Dy 0.54740 0.10895 0.79625 1.00000
  Dy5 Dy 0.71351 0.60925 0.96373 1.00000
  Ho1 Ho 0.95562 0.38293 0.70582 1.00000
  Ho2 Ho 0.04438 0.61707 0.29418 1.00000
  Tm1 Tm 0.78883 0.88351 0.53883 1.00000
  Tm2 Tm 0.25023 0.75176 0.74779 1.00000
  Tm3 Tm 0.74977 0.24824 0.25221 1.00000
  Tm4 Tm 0.21117 0.11649 0.46117 1.00000
  Tm5 Tm 0.00000 0.00000 0.00000 1.00000
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