CsSrSbCl6
Alexandria ALEXAlex-ID: agm005100147 · Space group: P312 (#149)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_14_spg149
Cs3Sb2Cl9 SrCl2 SbCl3
2022-08-14 07:50:19.525026
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005100147).
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 agm005100147
data_agm005100147
_cell_length_a 7.39442
_cell_length_b 7.39428
_cell_length_c 7.59203
_cell_angle_alpha 90.00081
_cell_angle_beta 89.99971
_cell_angle_gamma 60.00021
_cell_volume 359.49222
_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 0.99997 0.00001 0.99999 1.00000
Sr1 Sr 0.66661 0.66668 0.49999 1.00000
Sb1 Sb 0.33337 0.33332 0.49999 1.00000
Cl1 Cl 0.02316 0.36293 0.29484 1.00000
Cl2 Cl 0.36291 0.02320 0.70513 1.00000
Cl3 Cl 0.61383 0.36295 0.70512 1.00000
Cl4 Cl 0.02317 0.61389 0.70513 1.00000
Cl5 Cl 0.36291 0.61387 0.29485 1.00000
Cl6 Cl 0.61384 0.02321 0.29486 1.00000
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