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Ac8GaNi2

Alexandria ALEX

Alex-ID: agm006019283 · Space group: Cm (#8)

Basic Information

Formula
Ac8GaNi2
Alex-ID
agm006019283
Elements
3
Sites
11
Space group
Cm (#8)
Crystal system
monoclinic
Volume
398.50
ų
Cell a
6.5230
Å
Cell b
8.4003
Å
Cell c
8.4003
Å
α angle
115.69
°
β angle
98.49
°
γ angle
98.49
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8GaNi2
Ac
8.00 · 72.7%
Ga
1.00 · 9.1%
Ni
2.00 · 18.2%

Energy & Stability

Energy above hull
0.1398
eV/atom
Formation energy
-0.0592
eV/atom
Corrected total energy
-48.1152
eV
Raw total energy
-48.1152
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
13.4429
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_1555_spg8

Decomposition

Ac5Ga3 Ac2Ni Ac

Computed at

2023-09-27 19:29:51

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: agm006019283).

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 agm006019283
data_agm006019283
_cell_length_a     6.52304
_cell_length_b     8.40025
_cell_length_c     8.40025
_cell_angle_alpha  115.69434
_cell_angle_beta   98.48960
_cell_angle_gamma  98.48959
_cell_volume       398.50049
_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
  Ac1 Ac 0.57402 0.35133 0.08751 1.00000
  Ac2 Ac 0.57402 0.08751 0.35133 1.00000
  Ac3 Ac 0.17951 0.37824 0.37824 1.00000
  Ac4 Ac 0.98011 0.21540 0.77163 1.00000
  Ac5 Ac 0.98011 0.77163 0.21540 1.00000
  Ac6 Ac 0.80230 0.63816 0.63816 1.00000
  Ac7 Ac 0.37823 0.91795 0.65153 1.00000
  Ac8 Ac 0.37823 0.65153 0.91795 1.00000
  Ga1 Ga 0.15740 0.00755 0.00755 1.00000
  Ni1 Ni 0.49788 0.71257 0.30207 1.00000
  Ni2 Ni 0.49788 0.30207 0.71257 1.00000
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