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CeEuZn4

Alexandria ALEX

Alex-ID: agm078635521 · Space group: P6/mmm (#191)

Basic Information

Formula
CeEuZn4
Alex-ID
agm078635521
Elements
3
Sites
6
Space group
P6/mmm (#191)
Crystal system
hexagonal
Volume
131.98
ų
Cell a
4.6201
Å
Cell b
4.6201
Å
Cell c
7.1398
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeEuZn4
Ce
1.00 · 16.7%
Eu
1.00 · 16.7%
Zn
4.00 · 66.7%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.2951
eV/atom
Corrected total energy
-23.0920
eV
Raw total energy
-23.0920
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.3233
Total magnetisation
7.3103
μB

Additional Information

Prototype ID

ABC4_144_spg191

Decomposition

CeEuZn4

Computed at

2025-01-10 10:02:18

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: agm078635521).

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 agm078635521
data_agm078635521
_cell_length_a     4.62007
_cell_length_b     4.62007
_cell_length_c     7.13983
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       131.98215
_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 0.00000 0.00000 0.50000 1.00000
  Eu1 Eu 0.00000 0.00000 0.00000 1.00000
  Zn1 Zn 0.33333 0.66667 0.71496 1.00000
  Zn2 Zn 0.66667 0.33333 0.28504 1.00000
  Zn3 Zn 0.66667 0.33333 0.71496 1.00000
  Zn4 Zn 0.33333 0.66667 0.28504 1.00000
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