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Ce5ZnGe5

Alexandria ALEX

Alex-ID: agm003672498 · Space group: C2/m (#12)

Basic Information

Formula
Ce5ZnGe5
Alex-ID
agm003672498
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
263.09
ų
Cell a
5.4682
Å
Cell b
8.3420
Å
Cell c
6.2972
Å
α angle
103.41
°
β angle
90.00
°
γ angle
109.13
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce5ZnGe5
Ce
5.00 · 45.5%
Zn
1.00 · 9.1%
Ge
5.00 · 45.5%

Energy & Stability

Energy above hull
0.3292
eV/atom
Formation energy
-0.3607
eV/atom
Corrected total energy
-58.0022
eV
Raw total energy
-58.0022
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0044
eV
DOS at Fermi level
23.2060
Total magnetisation
4.6433
μB

Additional Information

Prototype ID

AB5C5_53_spg12

Decomposition

CeZnGe CeGe

Computed at

2022-04-09 23:35:12.542195

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: agm003672498).

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 agm003672498
data_agm003672498
_cell_length_a     5.46824
_cell_length_b     8.34201
_cell_length_c     6.29718
_cell_angle_alpha  103.40710
_cell_angle_beta   90.00000
_cell_angle_gamma  109.13246
_cell_volume       263.08597
_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 0.68982 0.37965 0.22109 1.00000
  Ce2 Ce 0.62822 0.25644 0.69812 1.00000
  Ce3 Ce 0.00000 0.00000 0.50000 1.00000
  Ce4 Ce 0.37178 0.74356 0.30188 1.00000
  Ce5 Ce 0.31018 0.62035 0.77891 1.00000
  Zn1 Zn 0.00000 0.00000 0.00000 1.00000
  Ge1 Ge 0.84584 0.69169 0.04850 1.00000
  Ge2 Ge 0.83109 0.66219 0.61389 1.00000
  Ge3 Ge 0.50000 0.00000 0.00000 1.00000
  Ge4 Ge 0.16891 0.33781 0.38611 1.00000
  Ge5 Ge 0.15416 0.30831 0.95150 1.00000
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