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Dy4CdTc

Alexandria ALEX

Alex-ID: agm005804917 · Space group: C2/c (#15)

Alexandria Database API

Basic Information

Formula
Dy4CdTc
Alex-ID
agm005804917
Elements
3
Sites
12
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
330.71
ų
Cell a
6.2627
Å
Cell b
7.7042
Å
Cell c
7.7042
Å
α angle
111.82
°
β angle
99.21
°
γ angle
99.21
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4CdTc
Dy
8.00 · 66.7%
Cd
2.00 · 16.7%
Tc
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.1844
eV/atom
Corrected total energy
-61.6219
eV
Raw total energy
-61.6219
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.4939
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

ABC4_1160_spg15

Decomposition

Dy4CdTc

Computed at

2023-07-31 12:14:33.533051

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: agm005804917).

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 agm005804917
data_agm005804917
_cell_length_a     6.26272
_cell_length_b     7.70422
_cell_length_c     7.70422
_cell_angle_alpha  111.82254
_cell_angle_beta   99.21243
_cell_angle_gamma  99.21238
_cell_volume       330.70864
_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 0.89561 0.63861 0.80090 1.00000
  Dy2 Dy 0.04502 0.93586 0.27512 1.00000
  Dy3 Dy 0.60439 0.19910 0.36139 1.00000
  Dy4 Dy 0.45498 0.72488 0.06414 1.00000
  Dy5 Dy 0.54502 0.27512 0.93586 1.00000
  Dy6 Dy 0.39561 0.80090 0.63861 1.00000
  Dy7 Dy 0.95498 0.06414 0.72488 1.00000
  Dy8 Dy 0.10439 0.36139 0.19910 1.00000
  Cd1 Cd 0.75000 0.62564 0.37436 1.00000
  Cd2 Cd 0.25000 0.37436 0.62564 1.00000
  Tc1 Tc 0.25000 0.99889 0.00111 1.00000
  Tc2 Tc 0.75000 0.00111 0.99889 1.00000
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