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Dy6CoTe3

Alexandria ALEX

Alex-ID: agm003578596 · Space group: P2_1/m (#11)

Basic Information

Formula
Dy6CoTe3
Alex-ID
agm003578596
Elements
3
Sites
20
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
570.80
ų
Cell a
3.9114
Å
Cell b
11.9971
Å
Cell c
12.5994
Å
α angle
105.10
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6CoTe3
Dy
12.00 · 60.0%
Co
2.00 · 10.0%
Te
6.00 · 30.0%

Energy & Stability

Energy above hull
0.1380
eV/atom
Formation energy
-0.7299
eV/atom
Corrected total energy
-102.9396
eV
Raw total energy
-102.9396
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
17.8364
Total magnetisation
0.0007
μB

Additional Information

Prototype ID

AB3C6_296_spg11

Decomposition

Dy6CoTe5 Dy5(CoTe)2 Dy

Computed at

2022-03-28 23:40:48.073746

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: agm003578596).

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 agm003578596
data_agm003578596
_cell_length_a     3.91136
_cell_length_b     11.99710
_cell_length_c     12.59936
_cell_angle_alpha  105.10483
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       570.79757
_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 0.75000 0.48704 0.64855 1.00000
  Dy2 Dy 0.25000 0.51296 0.35145 1.00000
  Dy3 Dy 0.75000 0.95392 0.15115 1.00000
  Dy4 Dy 0.25000 0.04608 0.84885 1.00000
  Dy5 Dy 0.75000 0.41991 0.10808 1.00000
  Dy6 Dy 0.25000 0.58009 0.89192 1.00000
  Dy7 Dy 0.75000 0.77947 0.31992 1.00000
  Dy8 Dy 0.25000 0.22053 0.68008 1.00000
  Dy9 Dy 0.75000 0.09239 0.43796 1.00000
  Dy10 Dy 0.25000 0.90761 0.56204 1.00000
  Dy11 Dy 0.75000 0.78535 0.76489 1.00000
  Dy12 Dy 0.25000 0.21465 0.23511 1.00000
  Co1 Co 0.75000 0.04223 0.68038 1.00000
  Co2 Co 0.25000 0.95777 0.31962 1.00000
  Te1 Te 0.75000 0.37510 0.85149 1.00000
  Te2 Te 0.25000 0.62490 0.14851 1.00000
  Te3 Te 0.75000 0.67266 0.51642 1.00000
  Te4 Te 0.25000 0.32734 0.48358 1.00000
  Te5 Te 0.75000 0.15628 0.04041 1.00000
  Te6 Te 0.25000 0.84372 0.95959 1.00000
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