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Ce2Zn4Co

Alexandria ALEX

Alex-ID: agm096499482 · Space group: Pmmm (#47)

Basic Information

Formula
Ce2Zn4Co
Alex-ID
agm096499482
Elements
3
Sites
7
Space group
Pmmm (#47)
Crystal system
orthorhombic
Volume
149.76
ų
Cell a
4.3457
Å
Cell b
4.6062
Å
Cell c
7.4818
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2Zn4Co
Ce
2.00 · 28.6%
Zn
4.00 · 57.1%
Co
1.00 · 14.3%

Energy & Stability

Energy above hull
0.1562
eV/atom
Formation energy
-0.1724
eV/atom
Corrected total energy
-25.3115
eV
Raw total energy
-25.3115
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0012
eV
DOS at Fermi level
11.7759
Total magnetisation
2.6251
μB

Additional Information

Prototype ID

AB2C4_6182_spg47

Decomposition

CeZn2 CeZn2Co

Computed at

2025-04-10 16:41:03

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: agm096499482).

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 agm096499482
data_agm096499482
_cell_length_a     4.34570
_cell_length_b     4.60620
_cell_length_c     7.48176
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       149.76384
_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 0.50000 0.50000 1.00000
  Ce2 Ce 0.00000 0.50000 0.00000 1.00000
  Zn1 Zn 0.00000 0.00000 0.67003 1.00000
  Zn2 Zn 0.50000 0.00000 0.16296 1.00000
  Zn3 Zn 0.50000 0.00000 0.83704 1.00000
  Zn4 Zn 0.00000 0.00000 0.32997 1.00000
  Co1 Co 0.50000 0.00000 0.50000 1.00000
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