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CeGa8Ni4Ge

Alexandria ALEX

Alex-ID: agm018340938 · Space group: P4mm (#99)

Alexandria Database API

Basic Information

Formula
CeGa8Ni4Ge
Alex-ID
agm018340938
Elements
4
Sites
14
Space group
P4mm (#99)
Crystal system
tetragonal
Volume
230.03
ų
Cell a
4.1184
Å
Cell b
4.1184
Å
Cell c
13.5624
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeGa8Ni4Ge
Ce
1.00 · 7.1%
Ga
8.00 · 57.1%
Ni
4.00 · 28.6%
Ge
1.00 · 7.1%

Energy & Stability

Energy above hull
0.0424
eV/atom
Formation energy
-0.4081
eV/atom
Corrected total energy
-63.6354
eV
Raw total energy
-63.6354
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0018
eV
DOS at Fermi level
9.7269
Total magnetisation
0.3333
μB

Additional Information

Prototype ID

ABC4D8_28_spg99

Decomposition

CeGa2NiGe CeGe3 CeGa5Ni Ga3Ni2

Computed at

2025-01-21 06:06:11

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: agm018340938).

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 agm018340938
data_agm018340938
_cell_length_a     4.11835
_cell_length_b     4.11835
_cell_length_c     13.56241
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       230.02960
_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 0.50000 0.50000 0.99807 1.00000
  Ga1 Ga 0.00000 0.50000 0.80974 1.00000
  Ga2 Ga 0.50000 0.00000 0.80974 1.00000
  Ga3 Ga 0.00000 0.50000 0.19850 1.00000
  Ga4 Ga 0.50000 0.00000 0.19850 1.00000
  Ga5 Ga 0.00000 0.50000 0.60465 1.00000
  Ga6 Ga 0.50000 0.00000 0.60465 1.00000
  Ga7 Ga 0.00000 0.50000 0.40021 1.00000
  Ga8 Ga 0.50000 0.00000 0.40021 1.00000
  Ni1 Ni 0.00000 0.00000 0.50178 1.00000
  Ni2 Ni 0.50000 0.50000 0.70755 1.00000
  Ni3 Ni 0.50000 0.50000 0.29134 1.00000
  Ni4 Ni 0.00000 0.00000 0.90433 1.00000
  Ge1 Ge 0.00000 0.00000 0.07063 1.00000
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