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Dy2TeH7

Alexandria ALEX

Alex-ID: agm006200262 · Space group: Pm (#6)

Basic Information

Formula
Dy2TeH7
Alex-ID
agm006200262
Elements
3
Sites
10
Space group
Pm (#6)
Crystal system
monoclinic
Volume
111.94
ų
Cell a
5.6804
Å
Cell b
5.7397
Å
Cell c
6.7618
Å
α angle
148.04
°
β angle
76.06
°
γ angle
106.39
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2TeH7
H
7.00 · 70.0%
Te
1.00 · 10.0%
Dy
2.00 · 20.0%

Energy & Stability

Energy above hull
0.1924
eV/atom
Formation energy
-0.4525
eV/atom
Corrected total energy
-39.5527
eV
Raw total energy
-39.5527
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.7472
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C7_1167_spg6

Decomposition

DyTeH DyH3 H2

Computed at

2023-12-14 11:54:10

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: agm006200262).

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 agm006200262
data_agm006200262
_cell_length_a     5.68037
_cell_length_b     5.73967
_cell_length_c     6.76176
_cell_angle_alpha  148.04479
_cell_angle_beta   76.06281
_cell_angle_gamma  106.39210
_cell_volume       111.93510
_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
  H1 H 0.41249 0.06495 0.14603 1.00000
  H2 H 0.63505 0.63900 0.64581 1.00000
  H3 H 0.40435 0.33029 0.64876 1.00000
  H4 H 0.98705 0.00373 0.14767 1.00000
  H5 H 0.49205 0.99246 0.64778 1.00000
  H6 H 0.63804 0.77427 0.64405 1.00000
  H7 H 0.81796 0.38335 0.64609 1.00000
  Te1 Te 0.03360 0.50621 0.14777 1.00000
  Dy1 Dy 0.21433 0.60337 0.64699 1.00000
  Dy2 Dy 0.59747 0.75976 0.14722 1.00000
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