Ce6S5Cl
Alexandria ALEXAlex-ID: agm006124665 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_83_spg12
Ce2SCl2 Ce CeS
2023-09-09 08:09:57.027868
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006124665).
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 agm006124665
data_agm006124665
_cell_length_a 6.96109
_cell_length_b 6.96109
_cell_length_c 6.95487
_cell_angle_alpha 99.59564
_cell_angle_beta 99.59565
_cell_angle_gamma 119.97275
_cell_volume 275.25201
_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
S1 S 0.83487 0.16513 0.50000 1.00000
S2 S 0.66685 0.33315 0.00000 1.00000
S3 S 0.50000 0.50000 0.50000 1.00000
S4 S 0.33315 0.66685 0.00000 1.00000
S5 S 0.16513 0.83487 0.50000 1.00000
Ce1 Ce 0.42487 0.08483 0.25424 1.00000
Ce2 Ce 0.91517 0.57513 0.74576 1.00000
Ce3 Ce 0.25549 0.25549 0.74615 1.00000
Ce4 Ce 0.74451 0.74451 0.25385 1.00000
Ce5 Ce 0.08483 0.42487 0.25424 1.00000
Ce6 Ce 0.57513 0.91517 0.74576 1.00000
Cl1 Cl 0.00000 0.00000 0.00000 1.00000
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