CsAcS14
Alexandria ALEXAlex-ID: agm005757308 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_108_spg74
AcS2 CsS15 CsS10
2023-07-19 09:19:18.771717
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757308).
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 agm005757308
data_agm005757308
_cell_length_a 11.27819
_cell_length_b 14.12692
_cell_length_c 14.12692
_cell_angle_alpha 36.45195
_cell_angle_beta 66.47299
_cell_angle_gamma 66.47299
_cell_volume 1213.46875
_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 0.25000 0.46287 0.03713 1.00000
Cs2 Cs 0.75000 0.53713 0.96287 1.00000
Ac1 Ac 0.50000 0.00000 0.50000 1.00000
Ac2 Ac 0.00000 0.00000 0.50000 1.00000
S1 S 0.58262 0.43953 0.39523 1.00000
S2 S 0.41738 0.56047 0.60477 1.00000
S3 S 0.08262 0.89523 0.93953 1.00000
S4 S 0.91738 0.10477 0.06047 1.00000
S5 S 0.19216 0.00510 0.61058 1.00000
S6 S 0.80784 0.99490 0.38942 1.00000
S7 S 0.69216 0.11058 0.50510 1.00000
S8 S 0.30784 0.88942 0.49490 1.00000
S9 S 0.10596 0.08126 0.70682 1.00000
S10 S 0.89404 0.91874 0.29318 1.00000
S11 S 0.60596 0.20682 0.58126 1.00000
S12 S 0.39404 0.79318 0.41874 1.00000
S13 S 0.84678 0.49880 0.20565 1.00000
S14 S 0.55123 0.50121 0.79435 1.00000
S15 S 0.34678 0.70565 0.99880 1.00000
S16 S 0.05123 0.29435 0.00121 1.00000
S17 S 0.15322 0.50120 0.79435 1.00000
S18 S 0.44877 0.49879 0.20565 1.00000
S19 S 0.65322 0.29435 0.00120 1.00000
S20 S 0.94877 0.70565 0.99879 1.00000
S21 S 0.48203 0.85521 0.82232 1.00000
S22 S 0.15956 0.14479 0.17768 1.00000
S23 S 0.98203 0.32232 0.35521 1.00000
S24 S 0.65956 0.67768 0.64479 1.00000
S25 S 0.51797 0.14479 0.17768 1.00000
S26 S 0.84044 0.85521 0.82232 1.00000
S27 S 0.01797 0.67768 0.64479 1.00000
S28 S 0.34044 0.32232 0.35521 1.00000
