BaSr2PbCl8
Alexandria ALEXAlex-ID: agm004916005 · Space group: Pmmm (#47)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_437_spg47
SrCl2 BaCl2 PbCl2
2022-12-20 20:47:37.827560
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004916005).
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 agm004916005
data_agm004916005
_cell_length_a 5.06689
_cell_length_b 7.14776
_cell_length_c 10.03648
_cell_angle_alpha 89.98710
_cell_angle_beta 90.00115
_cell_angle_gamma 89.99329
_cell_volume 363.49025
_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
Ba1 Ba 0.00000 0.00000 0.50000 1.00000
Sr1 Sr 0.49996 0.49997 0.75518 1.00000
Sr2 Sr 0.50004 0.50003 0.24482 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.99996 0.74372 0.24111 1.00000
Cl2 Cl 0.49995 0.75272 0.99999 1.00000
Cl3 Cl 0.00008 0.25641 0.24106 1.00000
Cl4 Cl 0.00004 0.25628 0.75889 1.00000
Cl5 Cl 0.50005 0.24728 0.00001 1.00000
Cl6 Cl 0.99992 0.74359 0.75894 1.00000
Cl7 Cl 0.50001 0.73805 0.50001 1.00000
Cl8 Cl 0.49999 0.26195 0.49999 1.00000
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