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Dy6CdTc

Alexandria ALEX

Alex-ID: agm003765232 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Dy6CdTc
Alex-ID
agm003765232
Elements
3
Sites
8
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
246.89
ų
Cell a
6.4479
Å
Cell b
7.4118
Å
Cell c
6.6397
Å
α angle
56.07
°
β angle
78.82
°
γ angle
69.67
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6CdTc
Dy
6.00 · 75.0%
Cd
1.00 · 12.5%
Tc
1.00 · 12.5%

Energy & Stability

Energy above hull
0.2522
eV/atom
Formation energy
0.1139
eV/atom
Corrected total energy
-38.0009
eV
Raw total energy
-38.0009
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.8691
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

ABC6_249_spg12

Decomposition

Dy4CdTc Dy

Computed at

2022-04-20 07:14:02.873142

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: agm003765232).

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 agm003765232
data_agm003765232
_cell_length_a     6.44794
_cell_length_b     7.41183
_cell_length_c     6.63968
_cell_angle_alpha  56.07230
_cell_angle_beta   78.81806
_cell_angle_gamma  69.66888
_cell_volume       246.88861
_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 0.74529 0.49355 0.62224 1.00000
  Dy2 Dy 0.74529 0.11579 0.37776 1.00000
  Dy3 Dy 0.25471 0.88421 0.62224 1.00000
  Dy4 Dy 0.25471 0.50645 0.37776 1.00000
  Dy5 Dy 0.73765 0.72756 1.00000 1.00000
  Dy6 Dy 0.26235 0.27244 0.00000 1.00000
  Cd1 Cd 0.00000 0.00000 0.00000 1.00000
  Tc1 Tc 0.50000 0.50000 0.00000 1.00000
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