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CeAlZn2Ge

Alexandria ALEX

Alex-ID: agm040797265 · Space group: Imm2 (#44)

Basic Information

Formula
CeAlZn2Ge
Alex-ID
agm040797265
Elements
4
Sites
5
Space group
Imm2 (#44)
Crystal system
orthorhombic
Volume
95.80
ų
Cell a
6.2329
Å
Cell b
6.2329
Å
Cell c
4.1830
Å
α angle
70.41
°
β angle
109.59
°
γ angle
140.89
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeAlZn2Ge
Ce
1.00 · 20.0%
Al
1.00 · 20.0%
Zn
2.00 · 40.0%
Ge
1.00 · 20.0%

Energy & Stability

Energy above hull
0.0076
eV/atom
Formation energy
-0.3920
eV/atom
Corrected total energy
-18.8131
eV
Raw total energy
-18.8131
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0032
eV
DOS at Fermi level
6.7068
Total magnetisation
1.0343
μB

Additional Information

Prototype ID

ABCD2_3_spg107

Decomposition

CeZnGe2 Ce2Al2Zn15 Ce2Al3Ge4 Ce(AlZn)2

Computed at

2025-01-20 10:44:09

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: agm040797265).

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 agm040797265
data_agm040797265
_cell_length_a     6.23290
_cell_length_b     6.23290
_cell_length_c     4.18300
_cell_angle_alpha  70.40941
_cell_angle_beta   109.59059
_cell_angle_gamma  140.88872
_cell_volume       95.80396
_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 0.43698 0.56302 0.43788 1.00000
  Al1 Al 0.18837 0.81163 0.68905 1.00000
  Zn1 Zn 0.68665 0.31335 0.18767 1.00000
  Zn2 Zn 0.06008 0.93992 0.06081 1.00000
  Ge1 Ge 0.83576 0.16424 0.83672 1.00000
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