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Ce2Dy2MnBi2

Alexandria ALEX

Alex-ID: agm024467869 · Space group: I4/mmm (#139)

Alexandria Database API

Basic Information

Formula
Ce2Dy2MnBi2
Alex-ID
agm024467869
Elements
4
Sites
7
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
196.12
ų
Cell a
9.2783
Å
Cell b
9.2783
Å
Cell c
9.2783
Å
α angle
150.26
°
β angle
150.26
°
γ angle
42.57
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2Dy2MnBi2
Ce
2.00 · 28.6%
Dy
2.00 · 28.6%
Mn
1.00 · 14.3%
Bi
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5408
eV/atom
Corrected total energy
-41.7921
eV
Raw total energy
-41.7921
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.9457
Total magnetisation
0.0005
μB

Additional Information

Prototype ID

AB2C2D2_132_spg139

Decomposition

Ce2Dy2MnBi2

Computed at

2025-01-26 07:14:14

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: agm024467869).

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 agm024467869
data_agm024467869
_cell_length_a     9.27831
_cell_length_b     9.27831
_cell_length_c     9.27831
_cell_angle_alpha  150.25518
_cell_angle_beta   150.25518
_cell_angle_gamma  42.56695
_cell_volume       196.12283
_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 0.16771 0.16771 0.00000 1.00000
  Dy2 Dy 0.83229 0.83229 0.00000 1.00000
  Mn1 Mn 0.00000 0.00000 0.00000 1.00000
  Bi1 Bi 0.35250 0.35250 0.00000 1.00000
  Bi2 Bi 0.64750 0.64750 0.00000 1.00000
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