CrAg2PbCl6
Alexandria ALEXAlex-ID: agm004972425 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_224_spg148
AgCl CrCl3 Ag PbCl2
2023-01-10 11:37:38.343098
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004972425).
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 agm004972425
data_agm004972425
_cell_length_a 7.26102
_cell_length_b 6.74508
_cell_length_c 8.02860
_cell_angle_alpha 82.99423
_cell_angle_beta 124.61761
_cell_angle_gamma 121.77058
_cell_volume 266.14614
_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
Cr1 Cr 0.99651 0.49790 0.48073 1.00000
Ag1 Ag 0.60367 0.76889 0.36918 1.00000
Ag2 Ag 0.38886 0.22644 0.59057 1.00000
Pb1 Pb 0.99649 0.99768 0.98015 1.00000
Cl1 Cl 0.43553 0.86960 0.69064 1.00000
Cl2 Cl 0.55782 0.12617 0.27037 1.00000
Cl3 Cl 0.83475 0.70562 0.23416 1.00000
Cl4 Cl 0.13695 0.37626 0.24949 1.00000
Cl5 Cl 0.85602 0.61897 0.71045 1.00000
Cl6 Cl 0.15897 0.29012 0.72679 1.00000
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