LaNi2
Alexandria ALEXAlex-ID: agm005460014 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_47_spg12
LaNi5 La3Ni4
2023-03-21 17:08:01.950038
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005460014).
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 agm005460014
data_agm005460014
_cell_length_a 6.12159
_cell_length_b 6.12159
_cell_length_c 5.05183
_cell_angle_alpha 101.73728
_cell_angle_beta 101.73728
_cell_angle_gamma 37.38012
_cell_volume 112.24937
_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 0.39036 0.39036 0.67876 1.00000
La2 La 0.60964 0.60964 0.32124 1.00000
Ni1 Ni 0.08500 0.08500 0.84285 1.00000
Ni2 Ni 0.71345 0.71345 0.87500 1.00000
Ni3 Ni 0.91500 0.91500 0.15715 1.00000
Ni4 Ni 0.28655 0.28655 0.12500 1.00000
