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Dy6MnTe2

Alexandria ALEX

Alex-ID: agm002222697 · Space group: P-62m (#189)

Basic Information

Formula
Dy6MnTe2
Alex-ID
agm002222697
Elements
3
Sites
9
Space group
P-62m (#189)
Crystal system
hexagonal
Volume
240.15
ų
Cell a
4.0335
Å
Cell b
8.2916
Å
Cell c
8.2916
Å
α angle
120.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6MnTe2
Te
2.00 · 22.2%
Mn
1.00 · 11.1%
Dy
6.00 · 66.7%

Energy & Stability

Energy above hull
0.0189
eV/atom
Formation energy
-0.5672
eV/atom
Corrected total energy
-48.1800
eV
Raw total energy
-48.1800
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.9458
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_1_spg189

Decomposition

Dy3Te2 Dy Mn

Computed at

2018-07-08 01:47:05

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: agm002222697).

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 agm002222697
data_agm002222697
_cell_length_a     4.03348
_cell_length_b     8.29158
_cell_length_c     8.29158
_cell_angle_alpha  120.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       240.15151
_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
  Te1 Te 0.50000 0.66667 0.33333 1.00000
  Te2 Te 0.50000 0.33333 0.66667 1.00000
  Mn1 Mn 0.00000 0.00000 0.00000 1.00000
  Dy1 Dy 0.50000 0.76583 0.76583 1.00000
  Dy2 Dy 0.50000 0.23417 1.00000 1.00000
  Dy3 Dy 0.50000 0.00000 0.23417 1.00000
  Dy4 Dy 0.00000 0.39351 0.39351 1.00000
  Dy5 Dy 0.00000 0.60649 0.00000 1.00000
  Dy6 Dy 0.00000 1.00000 0.60649 1.00000
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