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Ce2Dy2Bi5

Alexandria ALEX

Alex-ID: agm009237758 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Ce2Dy2Bi5
Alex-ID
agm009237758
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
303.28
ų
Cell a
4.6047
Å
Cell b
6.4925
Å
Cell c
10.4026
Å
α angle
89.72
°
β angle
102.78
°
γ angle
90.04
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2Dy2Bi5
Ce
2.00 · 22.2%
Dy
2.00 · 22.2%
Bi
5.00 · 55.6%

Energy & Stability

Energy above hull
0.1216
eV/atom
Formation energy
-0.6395
eV/atom
Corrected total energy
-46.2356
eV
Raw total energy
-46.2356
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0024
eV
DOS at Fermi level
16.1245
Total magnetisation
2.1318
μB

Additional Information

Prototype ID

A2B2C5_294_spg12

Decomposition

Ce3DyBi5 CeBi2 DyBi

Computed at

2024-05-11 17:02:57.973589

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: agm009237758).

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 agm009237758
data_agm009237758
_cell_length_a     4.60469
_cell_length_b     6.49247
_cell_length_c     10.40261
_cell_angle_alpha  89.71609
_cell_angle_beta   102.78257
_cell_angle_gamma  90.04198
_cell_volume       303.28332
_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 0.80572 0.24718 0.61109 1.00000
  Ce2 Ce 0.19428 0.75282 0.38891 1.00000
  Dy1 Dy 0.58478 0.23417 0.16913 1.00000
  Dy2 Dy 0.41522 0.76583 0.83087 1.00000
  Bi1 Bi 0.19279 0.25180 0.38511 1.00000
  Bi2 Bi 0.42036 0.28085 0.84066 1.00000
  Bi3 Bi 0.57964 0.71915 0.15934 1.00000
  Bi4 Bi 0.80721 0.74820 0.61489 1.00000
  Bi5 Bi 0.00000 0.00000 0.00000 1.00000
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