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Dy5(HoTm6)2

Alexandria ALEX

Alex-ID: agm005666113 · Space group: P-1 (#2)

Basic Information

Formula
Dy5(HoTm6)2
Alex-ID
agm005666113
Elements
3
Sites
19
Space group
P-1 (#2)
Crystal system
triclinic
Volume
586.48
ų
Cell a
5.9340
Å
Cell b
9.5462
Å
Cell c
11.9410
Å
α angle
118.92
°
β angle
96.10
°
γ angle
91.38
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5(HoTm6)2
Dy
5.00 · 26.3%
Ho
2.00 · 10.5%
Tm
12.00 · 63.2%

Energy & Stability

Energy above hull
0.1341
eV/atom
Formation energy
0.1265
eV/atom
Corrected total energy
-83.4306
eV
Raw total energy
-83.4306
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
29.9674
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5C12_311_spg2

Decomposition

Dy5Ho HoTm5 DyTm5

Computed at

2023-06-23 05:43:35.309575

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: agm005666113).

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 agm005666113
data_agm005666113
_cell_length_a     5.93397
_cell_length_b     9.54616
_cell_length_c     11.94096
_cell_angle_alpha  118.92218
_cell_angle_beta   96.09735
_cell_angle_gamma  91.38438
_cell_volume       586.48077
_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 0.49198 0.62165 0.66969 1.00000
  Dy2 Dy 0.10134 0.69564 0.15656 1.00000
  Dy3 Dy 0.00000 0.00000 0.50000 1.00000
  Dy4 Dy 0.89866 0.30436 0.84344 1.00000
  Dy5 Dy 0.50802 0.37835 0.33031 1.00000
  Ho1 Ho 0.71638 0.98691 0.91943 1.00000
  Ho2 Ho 0.28362 0.01309 0.08057 1.00000
  Tm1 Tm 0.83728 0.04568 0.22901 1.00000
  Tm2 Tm 0.03690 0.65753 0.84455 1.00000
  Tm3 Tm 0.56996 0.66814 0.98704 1.00000
  Tm4 Tm 0.07900 0.64103 0.45455 1.00000
  Tm5 Tm 0.61564 0.69382 0.28749 1.00000
  Tm6 Tm 0.57493 0.92331 0.60434 1.00000
  Tm7 Tm 0.42507 0.07669 0.39566 1.00000
  Tm8 Tm 0.92100 0.35897 0.54545 1.00000
  Tm9 Tm 0.38436 0.30618 0.71251 1.00000
  Tm10 Tm 0.96310 0.34247 0.15545 1.00000
  Tm11 Tm 0.43004 0.33186 0.01296 1.00000
  Tm12 Tm 0.16272 0.95432 0.77099 1.00000
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