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DyEr5Te6

Alexandria ALEX

Alex-ID: agm003677074 · Space group: C2/m (#12)

Basic Information

Formula
DyEr5Te6
Alex-ID
agm003677074
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
342.73
ų
Cell a
7.4788
Å
Cell b
7.4831
Å
Cell c
7.4995
Å
α angle
60.07
°
β angle
80.38
°
γ angle
70.43
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyEr5Te6
Dy
1.00 · 8.3%
Er
5.00 · 41.7%
Te
6.00 · 50.0%

Energy & Stability

Energy above hull
0.0399
eV/atom
Formation energy
-1.2216
eV/atom
Corrected total energy
-60.9276
eV
Raw total energy
-60.9276
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0018
eV
DOS at Fermi level
5.7530
Total magnetisation
0.0004
μB

Additional Information

Prototype ID

AB5C6_83_spg12

Decomposition

ErTe DyTe

Computed at

2022-04-10 04:12:01.051017

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: agm003677074).

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 agm003677074
data_agm003677074
_cell_length_a     7.47880
_cell_length_b     7.48309
_cell_length_c     7.49949
_cell_angle_alpha  60.07231
_cell_angle_beta   80.38144
_cell_angle_gamma  70.43302
_cell_volume       342.73434
_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
  Er1 Er 0.50000 0.16285 0.67430 1.00000
  Er2 Er 0.00000 0.33360 0.33279 1.00000
  Er3 Er 0.50000 0.50000 0.00000 1.00000
  Er4 Er 0.00000 0.66640 0.66721 1.00000
  Er5 Er 0.50000 0.83715 0.32570 1.00000
  Te1 Te 0.74779 0.08387 0.33664 1.00000
  Te2 Te 0.25221 0.57948 0.33664 1.00000
  Te3 Te 0.24875 0.25340 1.00000 1.00000
  Te4 Te 0.75125 0.74660 0.00000 1.00000
  Te5 Te 0.74779 0.42052 0.66336 1.00000
  Te6 Te 0.25221 0.91613 0.66336 1.00000
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