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Dy6Cd3CuOs2

Alexandria ALEX

Alex-ID: agm045791818 · Space group: C2/m (#12)

Basic Information

Formula
Dy6Cd3CuOs2
Alex-ID
agm045791818
Elements
4
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
280.16
ų
Cell a
7.7593
Å
Cell b
7.7593
Å
Cell c
9.1442
Å
α angle
59.41
°
β angle
59.41
°
γ angle
37.10
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6Cd3CuOs2
Dy
6.00 · 50.0%
Cd
3.00 · 25.0%
Cu
1.00 · 8.3%
Os
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.3112
eV/atom
Corrected total energy
-60.7466
eV
Raw total energy
-60.7466
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.7224
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3D6_436_spg12

Decomposition

Dy6Cd3CuOs2

Computed at

2024-10-03 18:23:57.734747

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: agm045791818).

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 agm045791818
data_agm045791818
_cell_length_a     7.75928
_cell_length_b     7.75928
_cell_length_c     9.14422
_cell_angle_alpha  59.40687
_cell_angle_beta   59.40687
_cell_angle_gamma  37.09630
_cell_volume       280.15907
_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 0.42825 0.42825 0.71547 1.00000
  Dy2 Dy 0.24062 0.24062 0.28641 1.00000
  Dy3 Dy 0.57175 0.57175 0.28453 1.00000
  Dy4 Dy 0.09909 0.09909 0.71295 1.00000
  Dy5 Dy 0.75938 0.75938 0.71359 1.00000
  Dy6 Dy 0.90091 0.90091 0.28705 1.00000
  Cd1 Cd 0.16313 0.16313 0.00677 1.00000
  Cd2 Cd 0.83687 0.83687 0.99323 1.00000
  Cd3 Cd 0.50000 0.50000 0.00000 1.00000
  Cu1 Cu 0.00000 0.00000 0.50000 1.00000
  Os1 Os 0.33563 0.33563 0.50050 1.00000
  Os2 Os 0.66437 0.66437 0.49950 1.00000
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