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Dy6Tm2Cd

Alexandria ALEX

Alex-ID: agm005680103 · Space group: C2/c (#15)

Basic Information

Formula
Dy6Tm2Cd
Alex-ID
agm005680103
Elements
3
Sites
18
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
539.04
ų
Cell a
6.1366
Å
Cell b
10.8610
Å
Cell c
11.6071
Å
α angle
46.90
°
β angle
105.34
°
γ angle
106.41
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6Tm2Cd
Dy
12.00 · 66.7%
Tm
4.00 · 22.2%
Cd
2.00 · 11.1%

Energy & Stability

Energy above hull
0.0371
eV/atom
Formation energy
-0.0382
eV/atom
Corrected total energy
-75.6664
eV
Raw total energy
-75.6664
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0036
eV
DOS at Fermi level
26.2178
Total magnetisation
-0.0002
μB

Additional Information

Prototype ID

AB2C6_1745_spg2

Decomposition

Dy5Tm DyTm5 Dy2Cd

Computed at

2023-07-12 08:35:30.443978

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: agm005680103).

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 agm005680103
data_agm005680103
_cell_length_a     6.13660
_cell_length_b     10.86096
_cell_length_c     11.60712
_cell_angle_alpha  46.90236
_cell_angle_beta   105.34145
_cell_angle_gamma  106.40924
_cell_volume       539.03731
_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 0.72715 0.47228 0.63555 1.00000
  Dy2 Dy 0.73887 0.30796 0.47291 1.00000
  Dy3 Dy 0.27285 0.52772 0.36445 1.00000
  Dy4 Dy 0.26113 0.69204 0.52709 1.00000
  Dy5 Dy 0.82805 0.90986 0.41561 1.00000
  Dy6 Dy 0.50254 0.59007 0.08441 1.00000
  Dy7 Dy 0.17196 0.09014 0.58439 1.00000
  Dy8 Dy 0.49746 0.40993 0.91559 1.00000
  Dy9 Dy 0.04206 0.80785 0.97282 1.00000
  Dy10 Dy 0.38036 0.97238 0.13543 1.00000
  Dy11 Dy 0.95794 0.19215 0.02718 1.00000
  Dy12 Dy 0.61964 0.02762 0.86457 1.00000
  Tm1 Tm 0.60826 0.85920 0.69405 1.00000
  Tm2 Tm 0.94500 0.35926 0.19407 1.00000
  Tm3 Tm 0.39174 0.14080 0.30595 1.00000
  Tm4 Tm 0.05500 0.64074 0.80593 1.00000
  Cd1 Cd 0.16837 0.25019 0.74990 1.00000
  Cd2 Cd 0.83163 0.74981 0.25010 1.00000
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