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Dy8TcAg2

Alexandria ALEX

Alex-ID: agm003530244 · Space group: C2/m (#12)

Basic Information

Formula
Dy8TcAg2
Alex-ID
agm003530244
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
296.18
ų
Cell a
5.2284
Å
Cell b
6.8968
Å
Cell c
9.0278
Å
α angle
107.29
°
β angle
106.83
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8TcAg2
Dy
8.00 · 72.7%
Tc
1.00 · 9.1%
Ag
2.00 · 18.2%

Energy & Stability

Energy above hull
0.0380
eV/atom
Formation energy
-0.1185
eV/atom
Corrected total energy
-54.2018
eV
Raw total energy
-54.2018
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.8835
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_570_spg12

Decomposition

Dy4TcAg Dy DyAg

Computed at

2022-03-18 08:35:11.589940

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: agm003530244).

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 agm003530244
data_agm003530244
_cell_length_a     5.22839
_cell_length_b     6.89684
_cell_length_c     9.02777
_cell_angle_alpha  107.29442
_cell_angle_beta   106.83237
_cell_angle_gamma  90.00000
_cell_volume       296.17848
_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 0.40878 0.56812 0.81757 1.00000
  Dy2 Dy 0.66030 0.96432 0.32060 1.00000
  Dy3 Dy 0.80360 0.70127 0.60720 1.00000
  Dy4 Dy 0.97350 0.20608 0.94699 1.00000
  Dy5 Dy 0.19640 0.29873 0.39280 1.00000
  Dy6 Dy 0.33970 0.03568 0.67940 1.00000
  Dy7 Dy 0.59122 0.43188 0.18243 1.00000
  Dy8 Dy 0.02651 0.79392 0.05301 1.00000
  Tc1 Tc 0.50000 0.00000 0.00000 1.00000
  Ag1 Ag 0.81609 0.29297 0.63217 1.00000
  Ag2 Ag 0.18391 0.70703 0.36783 1.00000
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