Ac2Ga5Ni4
Alexandria ALEXAlex-ID: agm005653010 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_21_spg8
AcGa3Ni2 AcGaNi2
2023-06-22 07:02:23.705233
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653010).
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
@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…
# CIF generated by HEAS from Alexandria entry agm005653010
data_agm005653010
_cell_length_a 5.49689
_cell_length_b 5.59322
_cell_length_c 8.08353
_cell_angle_alpha 80.38222
_cell_angle_beta 70.12281
_cell_angle_gamma 60.56812
_cell_volume 203.55966
_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 0.86197 0.00000 0.27605 1.00000
Ac2 Ac 0.13803 1.00000 0.72395 1.00000
Ga1 Ga 0.50000 0.00000 0.00000 1.00000
Ga2 Ga 0.00000 0.50000 0.00000 1.00000
Ga3 Ga 0.50000 0.50000 0.00000 1.00000
Ga4 Ga 0.25000 0.50000 0.50000 1.00000
Ga5 Ga 0.75000 0.50000 0.50000 1.00000
Ni1 Ni 0.47375 0.31187 0.74064 1.00000
Ni2 Ni 0.52625 0.68813 0.25936 1.00000
Ni3 Ni 0.21439 0.31187 0.25936 1.00000
Ni4 Ni 0.78561 0.68813 0.74064 1.00000
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