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CeGe5

Alexandria ALEX

Alex-ID: agm003200519 · Space group: Immm (#71)

Basic Information

Formula
CeGe5
Alex-ID
agm003200519
Elements
2
Sites
6
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
121.58
ų
Cell a
6.1390
Å
Cell b
6.1390
Å
Cell c
6.1390
Å
α angle
141.80
°
β angle
119.84
°
γ angle
73.53
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeGe5
Ce
1.00 · 16.7%
Ge
5.00 · 83.3%

Energy & Stability

Energy above hull
0.0502
eV/atom
Formation energy
-0.2982
eV/atom
Corrected total energy
-30.8102
eV
Raw total energy
-30.8102
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0425
eV
DOS at Fermi level
3.5085
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5_52_spg71

Decomposition

CeGe3 Ge

Computed at

2021-12-03 01:18:52.315005

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: agm003200519).

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 agm003200519
data_agm003200519
_cell_length_a     6.13899
_cell_length_b     6.13899
_cell_length_c     6.13899
_cell_angle_alpha  141.80187
_cell_angle_beta   119.84097
_cell_angle_gamma  73.53250
_cell_volume       121.57882
_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 0.00000 1.00000
  Ge1 Ge 0.12284 0.33112 0.79173 1.00000
  Ge2 Ge 0.53939 0.33112 0.20827 1.00000
  Ge3 Ge 0.46061 0.66888 0.79173 1.00000
  Ge4 Ge 0.87716 0.66888 0.20827 1.00000
  Ge5 Ge 0.50000 0.00000 0.50000 1.00000
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