AcBeSi2Ni
Alexandria ALEXAlex-ID: agm005018713 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_49_spg119
AcSi2Ni AcSi3Ni Be5Ni Ac2BeSi3
2022-07-03 23:03:10.764562
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005018713).
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 agm005018713
data_agm005018713
_cell_length_a 4.14460
_cell_length_b 4.14460
_cell_length_c 5.79727
_cell_angle_alpha 110.94439
_cell_angle_beta 110.94439
_cell_angle_gamma 90.00000
_cell_volume 85.92192
_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 0.00000 0.00000 0.00000 1.00000
Be1 Be 0.75000 0.25000 0.50000 1.00000
Si1 Si 0.63331 0.63331 0.26663 1.00000
Si2 Si 0.36669 0.36669 0.73337 1.00000
Ni1 Ni 0.25000 0.75000 0.50000 1.00000
