Li3Nd(YSe3)2
Alexandria ALEXAlex-ID: agm040970163 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
LiYSe2 Nd2Se3 Li2Se
2024-11-07 21:25:15.453771
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040970163).
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 agm040970163
data_agm040970163
_cell_length_a 9.05482
_cell_length_b 9.05482
_cell_length_c 8.06881
_cell_angle_alpha 78.81398
_cell_angle_beta 78.81398
_cell_angle_gamma 26.30978
_cell_volume 287.34139
_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 0.50000 0.00000 1.00000
Li2 Li 0.16916 0.16916 0.66720 1.00000
Li3 Li 0.83084 0.83084 0.33280 1.00000
Nd1 Nd 0.50000 0.50000 0.50000 1.00000
Y1 Y 0.16753 0.16753 0.16369 1.00000
Y2 Y 0.83247 0.83247 0.83631 1.00000
Se1 Se 0.67062 0.67062 0.41308 1.00000
Se2 Se 0.33362 0.33362 0.08531 1.00000
Se3 Se 0.32938 0.32938 0.58692 1.00000
Se4 Se 0.99942 0.99942 0.76096 1.00000
Se5 Se 0.00058 0.00058 0.23904 1.00000
Se6 Se 0.66638 0.66638 0.91469 1.00000
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