Li(Ac4Ni)2
Alexandria ALEXAlex-ID: agm006019486 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_17_spg12
Ac2Ni Li Ac
2023-09-27 00:04:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006019486).
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 agm006019486
data_agm006019486
_cell_length_a 6.27626
_cell_length_b 8.59444
_cell_length_c 8.59444
_cell_angle_alpha 115.69551
_cell_angle_beta 97.43273
_cell_angle_gamma 97.43274
_cell_volume 405.21770
_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
Li1 Li 0.00039 0.00333 0.00333 1.00000
Ac1 Ac 0.58186 0.34582 0.08479 1.00000
Ac2 Ac 0.58186 0.08479 0.34582 1.00000
Ac3 Ac 0.20108 0.39570 0.39570 1.00000
Ac4 Ac 0.99991 0.24659 0.75912 1.00000
Ac5 Ac 0.99991 0.75912 0.24659 1.00000
Ac6 Ac 0.79890 0.61077 0.61077 1.00000
Ac7 Ac 0.41776 0.92136 0.66024 1.00000
Ac8 Ac 0.41776 0.66024 0.92136 1.00000
Ni1 Ni 0.50011 0.71089 0.29533 1.00000
Ni2 Ni 0.50011 0.29533 0.71089 1.00000
Get direct link