Li2Pr3Cd4
Alexandria ALEXAlex-ID: agm005602891 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_139_spg2
Li2Cd PrCd
2023-06-27 08:22:22.029370
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602891).
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 agm005602891
data_agm005602891
_cell_length_a 5.12116
_cell_length_b 6.10945
_cell_length_c 9.51477
_cell_angle_alpha 118.79808
_cell_angle_beta 90.00000
_cell_angle_gamma 114.77892
_cell_volume 229.10410
_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 0.61403 0.22806 0.28138 1.00000
Li2 Li 0.38597 0.77194 0.71862 1.00000
Pr1 Pr 0.66495 0.32991 0.66678 1.00000
Pr2 Pr 0.00000 0.00000 0.00000 1.00000
Pr3 Pr 0.33505 0.67009 0.33322 1.00000
Cd1 Cd 0.71956 0.43911 0.05977 1.00000
Cd2 Cd 0.28044 0.56089 0.94023 1.00000
Cd3 Cd 0.93952 0.87904 0.61204 1.00000
Cd4 Cd 0.06048 0.12096 0.38796 1.00000
Get direct link