Cs4SrCl8
Alexandria ALEXAlex-ID: agm097726331 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1152_spg1
CsCl3 Cs4SrCl6 CsSrCl3
2025-06-21 01:55:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097726331).
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 agm097726331
data_agm097726331
_cell_length_a 4.75815
_cell_length_b 13.40097
_cell_length_c 12.60362
_cell_angle_alpha 45.73947
_cell_angle_beta 79.18012
_cell_angle_gamma 79.82020
_cell_volume 564.12870
_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
Cs1 Cs 0.98639 0.04268 0.13864 1.00000
Cs2 Cs 0.80951 0.50396 0.03182 1.00000
Cs3 Cs 0.10442 0.49973 0.44409 1.00000
Cs4 Cs 0.26680 0.10491 0.51343 1.00000
Sr1 Sr 0.66136 0.87032 0.95970 1.00000
Cl1 Cl 0.38735 0.23479 0.14550 1.00000
Cl2 Cl 0.19953 0.68307 0.07114 1.00000
Cl3 Cl 0.48324 0.57211 0.61942 1.00000
Cl4 Cl 0.12239 0.06159 0.84568 1.00000
Cl5 Cl 0.55615 0.80215 0.23964 1.00000
Cl6 Cl 0.70466 0.34577 0.39674 1.00000
Cl7 Cl 0.44102 0.41684 0.85828 1.00000
Cl8 Cl 0.77717 0.86208 0.73591 1.00000
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