Navigation

HEAS Data Platform · Materials Science Database

AlNi4Ge

Alexandria ALEX

Alex-ID: agm005828362 · Space group: C2/m (#12)

Basic Information

Formula
AlNi4Ge
Alex-ID
agm005828362
Elements
3
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
70.45
ų
Cell a
3.3213
Å
Cell b
4.5037
Å
Cell c
5.8830
Å
α angle
106.77
°
β angle
73.60
°
γ angle
68.36
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
AlNi4Ge
Al
1.00 · 16.7%
Ni
4.00 · 66.7%
Ge
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0915
eV/atom
Formation energy
-0.3262
eV/atom
Corrected total energy
-33.4555
eV
Raw total energy
-33.4555
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.7021
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_1155_spg12

Decomposition

AlNi4Ge

Computed at

2023-07-27 03:02:43.742657

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: agm005828362).

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 agm005828362
data_agm005828362
_cell_length_a     3.32125
_cell_length_b     4.50371
_cell_length_c     5.88301
_cell_angle_alpha  106.77383
_cell_angle_beta   73.60397
_cell_angle_gamma  68.36307
_cell_volume       70.45335
_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
  Al1 Al 0.50000 0.50000 0.50000 1.00000
  Ni1 Ni 0.82763 0.51190 0.83283 1.00000
  Ni2 Ni 0.33369 0.00119 0.33143 1.00000
  Ni3 Ni 0.17237 0.48810 0.16717 1.00000
  Ni4 Ni 0.66631 0.99881 0.66857 1.00000
  Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Get direct link