Cs4Ac3SbS8
Alexandria ALEXAlex-ID: agm004728892 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_65_spg12
CsAcS2 CsSbS2
2023-02-05 16:28:28.323361
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004728892).
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 agm004728892
data_agm004728892
_cell_length_a 8.81419
_cell_length_b 9.57404
_cell_length_c 8.81342
_cell_angle_alpha 117.42096
_cell_angle_beta 120.00289
_cell_angle_gamma 90.00000
_cell_volume 545.45951
_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 0.50000 0.00000 0.00000 1.00000
Cs2 Cs 0.50000 0.00000 0.50000 1.00000
Cs3 Cs 0.00000 0.00000 0.00000 1.00000
Cs4 Cs 0.00000 0.00000 0.50000 1.00000
Ac1 Ac 0.50000 0.50000 0.00000 1.00000
Ac2 Ac 0.50000 0.50000 0.50000 1.00000
Ac3 Ac 0.00000 0.50000 0.50000 1.00000
Sb1 Sb 0.00000 0.50000 0.00000 1.00000
S1 S 0.22258 0.68839 0.96589 1.00000
S2 S 0.22265 0.68846 0.44530 1.00000
S3 S 0.26844 0.30541 0.53688 1.00000
S4 S 0.74331 0.68839 0.96589 1.00000
S5 S 0.25669 0.31161 0.03411 1.00000
S6 S 0.73156 0.69459 0.46312 1.00000
S7 S 0.77735 0.31154 0.55470 1.00000
S8 S 0.77742 0.31161 0.03411 1.00000
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