Navigation

HEAS Data Platform · Materials Science Database

Dy8HoTm6

Alexandria ALEX

Alex-ID: agm006007175 · Space group: P2/m (#10)

Basic Information

Formula
Dy8HoTm6
Alex-ID
agm006007175
Elements
3
Sites
15
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
465.88
ų
Cell a
3.4996
Å
Cell b
23.4224
Å
Cell c
11.0159
Å
α angle
136.22
°
β angle
129.42
°
γ angle
53.27
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8HoTm6
Dy
8.00 · 53.3%
Ho
1.00 · 6.7%
Tm
6.00 · 40.0%

Energy & Stability

Energy above hull
0.0668
eV/atom
Formation energy
0.0613
eV/atom
Corrected total energy
-67.3175
eV
Raw total energy
-67.3175
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
22.9780
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB6C8_224_spg10

Decomposition

Dy5Tm Dy5Ho DyTm5

Computed at

2023-08-31 04:55:49.534436

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: agm006007175).

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 agm006007175
data_agm006007175
_cell_length_a     3.49964
_cell_length_b     23.42239
_cell_length_c     11.01585
_cell_angle_alpha  136.22286
_cell_angle_beta   129.41903
_cell_angle_gamma  53.27427
_cell_volume       465.88369
_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 0.77418 0.93550 0.25801 1.00000
  Dy2 Dy 0.80699 0.60467 0.61272 1.00000
  Dy3 Dy 0.41562 0.25893 0.97576 1.00000
  Dy4 Dy 0.22582 0.06450 0.74199 1.00000
  Dy5 Dy 0.19301 0.39533 0.38728 1.00000
  Dy6 Dy 0.58438 0.74107 0.02424 1.00000
  Dy7 Dy 0.12403 0.33731 0.73644 1.00000
  Dy8 Dy 0.87597 0.66269 0.26356 1.00000
  Ho1 Ho 0.50000 0.00000 0.00000 1.00000
  Tm1 Tm 0.04288 0.86608 0.50370 1.00000
  Tm2 Tm 0.29714 0.81150 0.77118 1.00000
  Tm3 Tm 0.92893 0.47721 0.16890 1.00000
  Tm4 Tm 0.95712 0.13392 0.49630 1.00000
  Tm5 Tm 0.70286 0.18850 0.22882 1.00000
  Tm6 Tm 0.07107 0.52279 0.83110 1.00000
Get direct link