Li3Nd3Ag8
Alexandria ALEXAlex-ID: agm005689335 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_0_spg71
Li2NdAg4 NdAg NdAg2
2023-06-29 10:11:06.491024
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689335).
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 agm005689335
data_agm005689335
_cell_length_a 4.72227
_cell_length_b 8.57117
_cell_length_c 8.57117
_cell_angle_alpha 66.46079
_cell_angle_beta 74.00973
_cell_angle_gamma 74.00973
_cell_volume 300.31017
_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 0.50000 0.00000 0.00000 1.00000
Li2 Li 0.00000 0.80862 0.19138 1.00000
Li3 Li 1.00000 0.19138 0.80862 1.00000
Nd1 Nd 0.50000 0.50000 0.50000 1.00000
Nd2 Nd 0.78460 0.21540 0.21540 1.00000
Nd3 Nd 0.21540 0.78460 0.78460 1.00000
Ag1 Ag 0.62317 0.07957 0.67410 1.00000
Ag2 Ag 0.37683 0.92043 0.32590 1.00000
Ag3 Ag 0.62317 0.67410 0.07957 1.00000
Ag4 Ag 0.37683 0.32590 0.92043 1.00000
Ag5 Ag 0.83781 0.81017 0.51420 1.00000
Ag6 Ag 0.16219 0.18983 0.48580 1.00000
Ag7 Ag 0.83781 0.51420 0.81017 1.00000
Ag8 Ag 0.16219 0.48580 0.18983 1.00000
Get direct link