La3SiNi3
Alexandria ALEXAlex-ID: agm005929366 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_609_spg12
La2Si3Ni La7Si5Ni2 La3Ni4
2023-08-06 19:02:03.657728
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005929366).
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 agm005929366
data_agm005929366
_cell_length_a 4.01344
_cell_length_b 5.96033
_cell_length_c 13.85962
_cell_angle_alpha 84.87377
_cell_angle_beta 81.67495
_cell_angle_gamma 70.32536
_cell_volume 308.60324
_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 0.52597 0.33376 0.61431 1.00000
La2 La 0.47403 0.66624 0.38569 1.00000
La3 La 0.25893 0.25579 0.22635 1.00000
La4 La 0.74107 0.74421 0.77365 1.00000
La5 La 0.40345 0.27066 0.92243 1.00000
La6 La 0.59655 0.72934 0.07757 1.00000
Si1 Si 0.75424 0.10327 0.38826 1.00000
Si2 Si 0.24576 0.89673 0.61174 1.00000
Ni1 Ni 0.80299 0.86126 0.53277 1.00000
Ni2 Ni 0.19701 0.13874 0.46723 1.00000
Ni3 Ni 0.10405 0.86625 0.92566 1.00000
Ni4 Ni 0.89595 0.13375 0.07434 1.00000
Ni5 Ni 0.94708 0.86648 0.23935 1.00000
Ni6 Ni 0.05292 0.13352 0.76065 1.00000
Get direct link