Li2PrAgCl6
Alexandria ALEXAlex-ID: agm004961069 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
Li3AgCl4 PrCl3 AgCl
2022-07-25 06:54:50.792571
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004961069).
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
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# CIF generated by HEAS from Alexandria entry agm004961069
data_agm004961069
_cell_length_a 6.76104
_cell_length_b 6.76717
_cell_length_c 7.24251
_cell_angle_alpha 62.05913
_cell_angle_beta 62.14712
_cell_angle_gamma 59.95653
_cell_volume 241.40220
_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 0.51821 0.51718 0.44632 1.00000
Li2 Li 0.01302 0.01230 0.96236 1.00000
Pr1 Pr 0.31552 0.31550 0.05335 1.00000
Ag1 Ag 0.80085 0.80176 0.59648 1.00000
Cl1 Cl 0.62685 0.24048 0.24299 1.00000
Cl2 Cl 0.24096 0.88947 0.24251 1.00000
Cl3 Cl 0.88970 0.62677 0.24212 1.00000
Cl4 Cl 0.38461 0.74220 0.74307 1.00000
Cl5 Cl 0.74187 0.13085 0.74297 1.00000
Cl6 Cl 0.12999 0.38510 0.74302 1.00000
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