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Ga8Ni4Ge

Alexandria ALEX

Alex-ID: agm097486116 · Space group: Pm (#6)

Basic Information

Formula
Ga8Ni4Ge
Alex-ID
agm097486116
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
202.98
ų
Cell a
3.9270
Å
Cell b
7.3500
Å
Cell c
7.5061
Å
α angle
69.53
°
β angle
89.99
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ga8Ni4Ge
Ga
8.00 · 61.5%
Ni
4.00 · 30.8%
Ge
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1032
eV/atom
Formation energy
-0.2174
eV/atom
Corrected total energy
-54.8130
eV
Raw total energy
-54.8130
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0658
eV
DOS at Fermi level
3.5744
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1160_spg6

Decomposition

Ga7Ni3 Ga3Ni2 Ge

Computed at

2025-06-17 06:00:38

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: agm097486116).

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 agm097486116
data_agm097486116
_cell_length_a     3.92700
_cell_length_b     7.35004
_cell_length_c     7.50606
_cell_angle_alpha  69.53329
_cell_angle_beta   89.98879
_cell_angle_gamma  89.99468
_cell_volume       202.97606
_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
  Ga1 Ga 0.61554 0.11252 0.27732 1.00000
  Ga2 Ga 0.61543 0.57953 0.28414 1.00000
  Ga3 Ga 0.61501 0.57276 0.65569 1.00000
  Ga4 Ga 0.61522 0.19072 0.61003 1.00000
  Ga5 Ga 0.11528 0.79379 0.40903 1.00000
  Ga6 Ga 0.11558 0.41733 0.14113 1.00000
  Ga7 Ga 0.11455 0.31117 0.83003 1.00000
  Ga8 Ga 0.11558 0.82411 0.77421 1.00000
  Ni1 Ni 0.11566 0.06520 0.12025 1.00000
  Ni2 Ni 0.61580 0.63193 0.95310 1.00000
  Ni3 Ni 0.11543 0.44540 0.49337 1.00000
  Ni4 Ni 0.11537 0.10376 0.46189 1.00000
  Ge1 Ge 0.61554 0.95178 0.98981 1.00000
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