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DyTmCd

Alexandria ALEX

Alex-ID: agm068965610 · Space group: Pnma (#62)

Basic Information

Formula
DyTmCd
Alex-ID
agm068965610
Elements
3
Sites
12
Space group
Pnma (#62)
Crystal system
orthorhombic
Volume
330.50
ų
Cell a
5.2058
Å
Cell b
6.7954
Å
Cell c
9.3428
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyTmCd
Dy
4.00 · 33.3%
Tm
4.00 · 33.3%
Cd
4.00 · 33.3%

Energy & Stability

Energy above hull
0.0059
eV/atom
Formation energy
-0.2119
eV/atom
Corrected total energy
-42.5376
eV
Raw total energy
-42.5376
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0601
eV
DOS at Fermi level
8.0331
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_6_spg62

Decomposition

DyTmCd

Computed at

2024-12-10 15:02:27

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: agm068965610).

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 agm068965610
data_agm068965610
_cell_length_a     5.20578
_cell_length_b     6.79535
_cell_length_c     9.34283
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       330.50344
_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 0.75000 0.81560 0.92690 1.00000
  Dy2 Dy 0.75000 0.31560 0.57310 1.00000
  Dy3 Dy 0.25000 0.18440 0.07310 1.00000
  Dy4 Dy 0.25000 0.68440 0.42690 1.00000
  Tm1 Tm 0.25000 0.51835 0.79122 1.00000
  Tm2 Tm 0.75000 0.98165 0.29122 1.00000
  Tm3 Tm 0.25000 0.01835 0.70878 1.00000
  Tm4 Tm 0.75000 0.48165 0.20878 1.00000
  Cd1 Cd 0.75000 0.77770 0.59903 1.00000
  Cd2 Cd 0.75000 0.27770 0.90097 1.00000
  Cd3 Cd 0.25000 0.72230 0.09903 1.00000
  Cd4 Cd 0.25000 0.22230 0.40097 1.00000
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