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CeNiGe

Alexandria ALEX

Alex-ID: agm002295641 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
CeNiGe
Alex-ID
agm002295641
Elements
3
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
112.88
ų
Cell a
4.1145
Å
Cell b
5.0978
Å
Cell c
5.7628
Å
α angle
91.42
°
β angle
110.90
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeNiGe
Ni
2.00 · 33.3%
Ge
2.00 · 33.3%
Ce
2.00 · 33.3%

Energy & Stability

Energy above hull
0.1196
eV/atom
Formation energy
-0.6201
eV/atom
Corrected total energy
-36.3908
eV
Raw total energy
-36.3908
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0011
eV
DOS at Fermi level
11.1762
Total magnetisation
1.0940
μB

Additional Information

Prototype ID

ABC_30_spg11

Decomposition

CeNiGe

Computed at

2018-12-22 19:57:49

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: agm002295641).

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 agm002295641
data_agm002295641
_cell_length_a     4.11450
_cell_length_b     5.09784
_cell_length_c     5.76276
_cell_angle_alpha  91.42487
_cell_angle_beta   110.90173
_cell_angle_gamma  90.00158
_cell_volume       112.87992
_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
  Ni1 Ni 0.22161 0.35381 0.43735 1.00000
  Ni2 Ni 0.78590 0.64133 0.56599 1.00000
  Ge1 Ge 0.60609 0.32128 0.20594 1.00000
  Ge2 Ge 0.40152 0.67452 0.79716 1.00000
  Ce1 Ce 0.89603 0.16698 0.78538 1.00000
  Ce2 Ce 0.11200 0.82862 0.21788 1.00000
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