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Ce2Dy2CoBi2

Alexandria ALEX

Alex-ID: agm024521543 · Space group: I4/mmm (#139)

Basic Information

Formula
Ce2Dy2CoBi2
Alex-ID
agm024521543
Elements
4
Sites
7
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
200.53
ų
Cell a
4.8274
Å
Cell b
4.8274
Å
Cell c
9.2559
Å
α angle
74.90
°
β angle
105.10
°
γ angle
90.03
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2Dy2CoBi2
Ce
2.00 · 28.6%
Dy
2.00 · 28.6%
Co
1.00 · 14.3%
Bi
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0045
eV/atom
Formation energy
-0.5810
eV/atom
Corrected total energy
-40.0283
eV
Raw total energy
-40.0283
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0152
eV
DOS at Fermi level
8.0924
Total magnetisation
0.8093
μB

Additional Information

Prototype ID

AB2C2D2_132_spg139

Decomposition

CeCo CeDyBi DyBi

Computed at

2025-05-01 18:59:14

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: agm024521543).

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 agm024521543
data_agm024521543
_cell_length_a     4.82738
_cell_length_b     4.82738
_cell_length_c     9.25594
_cell_angle_alpha  74.89584
_cell_angle_beta   105.10416
_cell_angle_gamma  90.03379
_cell_volume       200.52588
_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
  Ce1 Ce 0.50000 0.00000 0.50000 1.00000
  Ce2 Ce 0.00000 0.50000 0.50000 1.00000
  Dy1 Dy 0.83244 0.16756 0.16425 1.00000
  Dy2 Dy 0.16756 0.83244 0.83575 1.00000
  Co1 Co 0.00000 0.00000 0.50000 1.00000
  Bi1 Bi 0.64623 0.35377 0.79286 1.00000
  Bi2 Bi 0.35377 0.64623 0.20714 1.00000
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