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Dy5Tm6

Alexandria ALEX

Alex-ID: agm003293102 · Space group: C2/m (#12)

Basic Information

Formula
Dy5Tm6
Alex-ID
agm003293102
Elements
2
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
342.85
ų
Cell a
8.9399
Å
Cell b
7.8302
Å
Cell c
6.2464
Å
α angle
80.25
°
β angle
72.75
°
γ angle
55.19
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5Tm6
Dy
5.00 · 45.5%
Tm
6.00 · 54.5%

Energy & Stability

Energy above hull
0.1502
eV/atom
Formation energy
0.1442
eV/atom
Corrected total energy
-48.2613
eV
Raw total energy
-48.2613
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.7499
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A5B6_71_spg12

Decomposition

Dy5Tm DyTm5

Computed at

2022-01-17 02:25:13.084899

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: agm003293102).

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 agm003293102
data_agm003293102
_cell_length_a     8.93987
_cell_length_b     7.83017
_cell_length_c     6.24643
_cell_angle_alpha  80.25155
_cell_angle_beta   72.74591
_cell_angle_gamma  55.18972
_cell_volume       342.85058
_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 0.00000 0.50000 1.00000
  Dy2 Dy 0.37056 0.25889 1.00000 1.00000
  Dy3 Dy 0.62944 0.74111 0.00000 1.00000
  Dy4 Dy 0.24021 0.51957 0.50000 1.00000
  Dy5 Dy 0.75979 0.48043 0.50000 1.00000
  Tm1 Tm 0.83633 0.00000 0.68931 1.00000
  Tm2 Tm 0.16367 1.00000 0.31069 1.00000
  Tm3 Tm 0.30905 0.73822 0.82790 1.00000
  Tm4 Tm 0.95273 0.73822 0.17210 1.00000
  Tm5 Tm 0.69095 0.26178 0.17210 1.00000
  Tm6 Tm 0.04727 0.26178 0.82790 1.00000
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