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Dy3Er3TmTe8

Alexandria ALEX

Alex-ID: agm048289547 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
Dy3Er3TmTe8
Alex-ID
agm048289547
Elements
4
Sites
15
Space group
R-3m (#166)
Crystal system
trigonal
Volume
455.51
ų
Cell a
8.6380
Å
Cell b
8.6380
Å
Cell c
8.6380
Å
α angle
59.98
°
β angle
59.98
°
γ angle
59.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3Er3TmTe8
Dy
3.00 · 20.0%
Er
3.00 · 20.0%
Tm
1.00 · 6.7%
Te
8.00 · 53.3%

Energy & Stability

Energy above hull
0.0112
eV/atom
Formation energy
-1.3282
eV/atom
Corrected total energy
-77.0277
eV
Raw total energy
-77.0277
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.5806
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

AB3C3D8_25_spg166

Decomposition

Dy2(ErTe2)3 Dy2(TmTe2)3 Er5Te6 DyTe

Computed at

2025-03-13 02:18:40

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: agm048289547).

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 agm048289547
data_agm048289547
_cell_length_a     8.63800
_cell_length_b     8.63800
_cell_length_c     8.63800
_cell_angle_alpha  59.97719
_cell_angle_beta   59.97719
_cell_angle_gamma  59.97719
_cell_volume       455.51144
_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 0.50000 0.50000 0.00000 1.00000
  Dy2 Dy 0.00000 0.50000 0.50000 1.00000
  Dy3 Dy 0.50000 0.00000 0.50000 1.00000
  Er1 Er 0.00000 0.00000 0.50000 1.00000
  Er2 Er 0.50000 0.00000 0.00000 1.00000
  Er3 Er 0.00000 0.50000 0.00000 1.00000
  Tm1 Tm 0.00000 0.00000 0.00000 1.00000
  Te1 Te 0.24904 0.24904 0.24904 1.00000
  Te2 Te 0.75096 0.75096 0.75096 1.00000
  Te3 Te 0.74604 0.74604 0.25207 1.00000
  Te4 Te 0.25396 0.25396 0.74793 1.00000
  Te5 Te 0.25207 0.74604 0.74604 1.00000
  Te6 Te 0.74793 0.25396 0.25396 1.00000
  Te7 Te 0.74604 0.25207 0.74604 1.00000
  Te8 Te 0.25396 0.74793 0.25396 1.00000
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