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Ce3Fe3Ge7

Alexandria ALEX

Alex-ID: agm008409338 · Space group: Amm2 (#38)

Alexandria Database API

Basic Information

Formula
Ce3Fe3Ge7
Alex-ID
agm008409338
Elements
3
Sites
13
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
239.27
ų
Cell a
13.4996
Å
Cell b
13.4996
Å
Cell c
4.2363
Å
α angle
90.00
°
β angle
90.00
°
γ angle
161.94
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce3Fe3Ge7
Ce
3.00 · 23.1%
Fe
3.00 · 23.1%
Ge
7.00 · 53.8%

Energy & Stability

Energy above hull
0.0441
eV/atom
Formation energy
-0.4941
eV/atom
Corrected total energy
-81.9347
eV
Raw total energy
-81.9347
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0006
eV
DOS at Fermi level
15.9345
Total magnetisation
1.0773
μB

Additional Information

Prototype ID

A3B3C7_1_spg38

Decomposition

Ce2Fe3Ge5 Ce3Fe2Ge7 CeFeGe

Computed at

2024-05-03 21:59:40.771144

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: agm008409338).

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 agm008409338
data_agm008409338
_cell_length_a     13.49958
_cell_length_b     13.49958
_cell_length_c     4.23629
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  161.94468
_cell_volume       239.27487
_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 0.00209 0.99791 0.00000 1.00000
  Ce2 Ce 0.68702 0.31298 0.50000 1.00000
  Ce3 Ce 0.32084 0.67916 0.50000 1.00000
  Fe1 Fe 0.86379 0.13621 0.00000 1.00000
  Fe2 Fe 0.13451 0.86549 0.00000 1.00000
  Fe3 Fe 0.44913 0.55087 0.50000 1.00000
  Ge1 Ge 0.59681 0.40319 0.00000 1.00000
  Ge2 Ge 0.40860 0.59140 0.00000 1.00000
  Ge3 Ge 0.77754 0.22246 0.00000 1.00000
  Ge4 Ge 0.22187 0.77813 0.00000 1.00000
  Ge5 Ge 0.90845 0.09155 0.50000 1.00000
  Ge6 Ge 0.09694 0.90306 0.50000 1.00000
  Ge7 Ge 0.53241 0.46759 0.50000 1.00000
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