Navigation

HEAS Data Platform · Materials Science Database

CeGe5

Alexandria ALEX

Alex-ID: agm001192534 · Space group: Cmmm (#65)

Basic Information

Formula
CeGe5
Alex-ID
agm001192534
Elements
2
Sites
6
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
120.76
ų
Cell a
3.7593
Å
Cell b
4.7512
Å
Cell c
7.1660
Å
α angle
109.36
°
β angle
90.00
°
γ angle
90.00
°

Composition

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

Energy & Stability

Energy above hull
0.2030
eV/atom
Formation energy
-0.1455
eV/atom
Corrected total energy
-29.8935
eV
Raw total energy
-29.8935
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0135
eV
DOS at Fermi level
4.7491
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5_8_spg65

Decomposition

CeGe3 Ge

Computed at

2021-05-15 18:15:26

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: agm001192534).

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 agm001192534
data_agm001192534
_cell_length_a     3.75932
_cell_length_b     4.75120
_cell_length_c     7.16602
_cell_angle_alpha  109.36040
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       120.75650
_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
  Ge1 Ge 0.00000 0.65804 0.31609 1.00000
  Ge2 Ge 0.00000 0.34196 0.68391 1.00000
  Ge3 Ge 0.50000 0.50000 0.00000 1.00000
  Ge4 Ge 0.50000 0.18787 0.37574 1.00000
  Ge5 Ge 0.50000 0.81213 0.62426 1.00000
  Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Get direct link