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Dy5HoTe6

Alexandria ALEX

Alex-ID: agm003677083 · Space group: C2/m (#12)

Basic Information

Formula
Dy5HoTe6
Alex-ID
agm003677083
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
348.78
ų
Cell a
7.5207
Å
Cell b
7.5234
Å
Cell c
7.5488
Å
α angle
60.11
°
β angle
80.36
°
γ angle
70.37
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5HoTe6
Dy
5.00 · 41.7%
Ho
1.00 · 8.3%
Te
6.00 · 50.0%

Energy & Stability

Energy above hull
0.0345
eV/atom
Formation energy
-1.2729
eV/atom
Corrected total energy
-61.7218
eV
Raw total energy
-61.7218
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0029
eV
DOS at Fermi level
5.7513
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5C6_83_spg12

Decomposition

HoTe DyTe

Computed at

2022-04-10 04:08:12.384823

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: agm003677083).

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 agm003677083
data_agm003677083
_cell_length_a     7.52071
_cell_length_b     7.52336
_cell_length_c     7.54885
_cell_angle_alpha  60.11161
_cell_angle_beta   80.36130
_cell_angle_gamma  70.36641
_cell_volume       348.78348
_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 0.16799 0.66402 1.00000
  Dy2 Dy 0.00000 0.33288 0.33424 1.00000
  Dy3 Dy 0.50000 0.50000 0.00000 1.00000
  Dy4 Dy 0.00000 0.66712 0.66576 1.00000
  Dy5 Dy 0.50000 0.83201 0.33598 1.00000
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
  Te1 Te 0.75077 0.08321 0.33181 1.00000
  Te2 Te 0.24923 0.58498 0.33181 1.00000
  Te3 Te 0.24997 0.24891 0.00000 1.00000
  Te4 Te 0.75003 0.75109 1.00000 1.00000
  Te5 Te 0.75077 0.41502 0.66819 1.00000
  Te6 Te 0.24923 0.91679 0.66819 1.00000
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