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DyTm7Cd2

Alexandria ALEX

Alex-ID: agm003508124 · Space group: Cmmm (#65)

Basic Information

Formula
DyTm7Cd2
Alex-ID
agm003508124
Elements
3
Sites
10
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
356.74
ų
Cell a
5.1609
Å
Cell b
8.9661
Å
Cell c
8.9661
Å
α angle
120.70
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyTm7Cd2
Dy
1.00 · 10.0%
Tm
7.00 · 70.0%
Cd
2.00 · 20.0%

Energy & Stability

Energy above hull
0.5577
eV/atom
Formation energy
0.4271
eV/atom
Corrected total energy
-33.4804
eV
Raw total energy
-33.4804
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0024
eV
DOS at Fermi level
19.3032
Total magnetisation
0.0058
μB

Additional Information

Prototype ID

AB2C7_123_spg65

Decomposition

Tm2Cd DyTmCd DyTm5

Computed at

2022-03-12 17:15:46.650512

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: agm003508124).

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 agm003508124
data_agm003508124
_cell_length_a     5.16089
_cell_length_b     8.96605
_cell_length_c     8.96608
_cell_angle_alpha  120.70130
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       356.73568
_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 0.00000 0.00000 0.00000 1.00000
  Tm1 Tm 0.00000 0.77743 0.22256 1.00000
  Tm2 Tm 0.00000 0.22257 0.77744 1.00000
  Tm3 Tm 0.50000 0.06505 0.29871 1.00000
  Tm4 Tm 0.50000 0.93495 0.70129 1.00000
  Tm5 Tm 0.50000 0.29871 0.06505 1.00000
  Tm6 Tm 0.50000 0.70129 0.93495 1.00000
  Tm7 Tm 0.50000 0.50000 0.50000 1.00000
  Cd1 Cd 0.50000 0.69533 0.30467 1.00000
  Cd2 Cd 0.50000 0.30467 0.69533 1.00000
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