Yb(AgCl2)3
Alexandria ALEXAlex-ID: agm002143232 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_6_spg2
Ag3Cl4 YbCl2
2018-06-04 17:31:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002143232).
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 agm002143232
data_agm002143232
_cell_length_a 7.15018
_cell_length_b 6.75523
_cell_length_c 7.81437
_cell_angle_alpha 61.17438
_cell_angle_beta 57.18878
_cell_angle_gamma 58.97177
_cell_volume 260.83185
_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
Yb1 Yb 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.17878 0.19139 0.43250 1.00000
Ag2 Ag 0.50000 0.50000 0.50000 1.00000
Ag3 Ag 0.82122 0.80861 0.56750 1.00000
Cl1 Cl 0.78657 0.38766 0.73967 1.00000
Cl2 Cl 0.11181 0.77360 0.72773 1.00000
Cl3 Cl 0.41264 0.10078 0.74584 1.00000
Cl4 Cl 0.58736 0.89922 0.25416 1.00000
Cl5 Cl 0.88819 0.22640 0.27227 1.00000
Cl6 Cl 0.21343 0.61234 0.26033 1.00000
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