Li2PmSi2
Alexandria ALEXAlex-ID: agm045396956 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_5_spg139
Li2Pm2Si3 LiPmSi2 Li5Si2
2025-04-16 15:55:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045396956).
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 agm045396956
data_agm045396956
_cell_length_a 4.09893
_cell_length_b 4.09893
_cell_length_c 6.29582
_cell_angle_alpha 71.00651
_cell_angle_beta 108.99349
_cell_angle_gamma 90.00297
_cell_volume 93.90784
_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 0.75070 0.75070 0.50000 1.00000
Li2 Li 0.24930 0.24930 0.50000 1.00000
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.39559 0.60441 0.79067 1.00000
Si2 Si 0.60441 0.39559 0.20933 1.00000
