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Dy4TeC

Alexandria ALEX

Alex-ID: agm005916331 · Space group: C2/c (#15)

Basic Information

Formula
Dy4TeC
Alex-ID
agm005916331
Elements
3
Sites
12
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
323.04
ų
Cell a
6.1536
Å
Cell b
9.4674
Å
Cell c
8.5456
Å
α angle
56.36
°
β angle
69.69
°
γ angle
51.20
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4TeC
Dy
8.00 · 66.7%
Te
2.00 · 16.7%
C
2.00 · 16.7%

Energy & Stability

Energy above hull
0.1177
eV/atom
Formation energy
-0.4754
eV/atom
Corrected total energy
-67.2662
eV
Raw total energy
-67.2662
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0287
eV
DOS at Fermi level
12.1065
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_1313_spg15

Decomposition

Dy6Te2C3 Dy6Te5C Dy

Computed at

2023-07-27 18:53:33.253508

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: agm005916331).

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 agm005916331
data_agm005916331
_cell_length_a     6.15361
_cell_length_b     9.46736
_cell_length_c     8.54557
_cell_angle_alpha  56.36300
_cell_angle_beta   69.69172
_cell_angle_gamma  51.20310
_cell_volume       323.04430
_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 0.85448 0.24984 0.90463 1.00000
  Dy2 Dy 0.11463 0.05625 0.61268 1.00000
  Dy3 Dy 0.64552 0.84553 0.90463 1.00000
  Dy4 Dy 0.38537 0.33107 0.61268 1.00000
  Dy5 Dy 0.61463 0.66893 0.38732 1.00000
  Dy6 Dy 0.35448 0.15447 0.09537 1.00000
  Dy7 Dy 0.88537 0.94375 0.38732 1.00000
  Dy8 Dy 0.14552 0.75016 0.09537 1.00000
  Te1 Te 0.75000 0.38013 0.23974 1.00000
  Te2 Te 0.25000 0.61987 0.76026 1.00000
  C1 C 0.25000 0.92635 0.14731 1.00000
  C2 C 0.75000 0.07365 0.85269 1.00000
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