La3Ni5
Alexandria ALEXAlex-ID: agm101038947 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_1845_spg194
LaNi5 La3Ni4
2025-04-06 14:10:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101038947).
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 agm101038947
data_agm101038947
_cell_length_a 5.02474
_cell_length_b 5.02474
_cell_length_c 13.58307
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 296.99936
_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
La1 La 0.66667 0.33333 0.37199 1.00000
La2 La 0.33333 0.66667 0.87199 1.00000
La3 La 0.33333 0.66667 0.62801 1.00000
La4 La 0.66667 0.33333 0.12801 1.00000
La5 La 0.00000 0.00000 0.00000 1.00000
La6 La 0.00000 0.00000 0.50000 1.00000
Ni1 Ni 0.66667 0.33333 0.90038 1.00000
Ni2 Ni 0.33333 0.66667 0.40038 1.00000
Ni3 Ni 0.33333 0.66667 0.09962 1.00000
Ni4 Ni 0.66667 0.33333 0.59962 1.00000
Ni5 Ni 0.83520 0.16480 0.75000 1.00000
Ni6 Ni 0.32960 0.16480 0.75000 1.00000
Ni7 Ni 0.83520 0.67040 0.75000 1.00000
Ni8 Ni 0.16480 0.83520 0.25000 1.00000
Ni9 Ni 0.67040 0.83520 0.25000 1.00000
Ni10 Ni 0.16480 0.32960 0.25000 1.00000
Get direct link