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Dy2ErTe3

Alexandria ALEX

Alex-ID: agm003418552 · Space group: Immm (#71)

Basic Information

Formula
Dy2ErTe3
Alex-ID
agm003418552
Elements
3
Sites
6
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
173.46
ų
Cell a
4.3745
Å
Cell b
6.1176
Å
Cell c
7.4934
Å
α angle
114.09
°
β angle
106.97
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2ErTe3
Dy
2.00 · 33.3%
Er
1.00 · 16.7%
Te
3.00 · 50.0%

Energy & Stability

Energy above hull
0.0383
eV/atom
Formation energy
-1.2544
eV/atom
Corrected total energy
-30.7217
eV
Raw total energy
-30.7217
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.6960
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_873_spg71

Decomposition

ErTe DyTe

Computed at

2022-02-15 02:38:49.786259

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: agm003418552).

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 agm003418552
data_agm003418552
_cell_length_a     4.37454
_cell_length_b     6.11757
_cell_length_c     7.49336
_cell_angle_alpha  114.09180
_cell_angle_beta   106.97142
_cell_angle_gamma  90.00000
_cell_volume       173.45566
_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 0.82972 0.82972 0.15944 1.00000
  Dy2 Dy 0.17028 0.17028 0.84056 1.00000
  Er1 Er 0.50000 0.50000 0.50000 1.00000
  Te1 Te 0.83619 0.33619 0.17237 1.00000
  Te2 Te 0.16381 0.66381 0.82763 1.00000
  Te3 Te 0.50000 0.00000 0.50000 1.00000
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