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Dy2TmCd2

Alexandria ALEX

Alex-ID: agm042886604 · Space group: I4/mmm (#139)

Basic Information

Formula
Dy2TmCd2
Alex-ID
agm042886604
Elements
3
Sites
5
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
135.85
ų
Cell a
10.6526
Å
Cell b
10.6526
Å
Cell c
10.6526
Å
α angle
160.41
°
β angle
160.41
°
γ angle
27.85
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2TmCd2
Dy
2.00 · 40.0%
Tm
1.00 · 20.0%
Cd
2.00 · 40.0%

Energy & Stability

Energy above hull
0.0248
eV/atom
Formation energy
-0.2317
eV/atom
Corrected total energy
-16.6846
eV
Raw total energy
-16.6846
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.8180
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_542_spg71

Decomposition

DyTmCd2 Dy3Cd2 DyTmCd

Computed at

2025-04-15 00:15:53

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: agm042886604).

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 agm042886604
data_agm042886604
_cell_length_a     10.65257
_cell_length_b     10.65257
_cell_length_c     10.65257
_cell_angle_alpha  160.40843
_cell_angle_beta   160.40843
_cell_angle_gamma  27.84509
_cell_volume       135.85362
_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 0.81080 0.81080 0.00000 1.00000
  Dy2 Dy 0.18920 0.18920 0.00000 1.00000
  Tm1 Tm 0.00000 0.00000 0.00000 1.00000
  Cd1 Cd 0.59116 0.59116 0.00000 1.00000
  Cd2 Cd 0.40884 0.40884 0.00000 1.00000
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