Ce4Os2Cl3
Alexandria ALEXAlex-ID: agm005694624 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_352_spg164
Ce4Os3 Ce2Cl5 Ce7Os3
2023-06-26 21:46:01.206790
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694624).
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 agm005694624
data_agm005694624
_cell_length_a 4.02515
_cell_length_b 4.02515
_cell_length_c 17.47504
_cell_angle_alpha 90.03677
_cell_angle_beta 89.96323
_cell_angle_gamma 120.00199
_cell_volume 245.19120
_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
Ce1 Ce 0.33365 0.66635 0.87456 1.00000
Ce2 Ce 0.99940 0.00059 0.30306 1.00000
Ce3 Ce 0.00060 0.99941 0.69694 1.00000
Ce4 Ce 0.66635 0.33365 0.12544 1.00000
Os1 Os 0.66713 0.33287 0.78987 1.00000
Os2 Os 0.33287 0.66713 0.21013 1.00000
Cl1 Cl 0.66592 0.33408 0.40388 1.00000
Cl2 Cl 0.00000 0.00000 0.00000 1.00000
Cl3 Cl 0.33408 0.66592 0.59612 1.00000
Get direct link