Ce8POs3Cl4
Alexandria ALEXAlex-ID: agm004736712 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_70_spg166
Ce4Os3 Ce7Os3 Ce2Cl5 Ce2PCl2
2023-02-05 06:08:42.716168
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004736712).
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 agm004736712
data_agm004736712
_cell_length_a 8.14054
_cell_length_b 8.57198
_cell_length_c 8.14077
_cell_angle_alpha 118.35194
_cell_angle_beta 119.99906
_cell_angle_gamma 90.00000
_cell_volume 411.40679
_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 0.24038 0.71136 0.97101 1.00000
Ce2 Ce 0.24038 0.71136 0.48075 1.00000
Ce3 Ce 0.26279 0.28841 0.52557 1.00000
Ce4 Ce 0.73063 0.71136 0.97101 1.00000
Ce5 Ce 0.26937 0.28864 0.02899 1.00000
Ce6 Ce 0.73721 0.71159 0.47443 1.00000
Ce7 Ce 0.75962 0.28864 0.51925 1.00000
Ce8 Ce 0.75962 0.28864 0.02899 1.00000
P1 P 0.00000 0.50000 0.00000 1.00000
Os1 Os 0.50000 0.50000 0.00000 1.00000
Os2 Os 0.50000 0.50000 0.50000 1.00000
Os3 Os 0.00000 0.50000 0.50000 1.00000
Cl1 Cl 0.50000 0.00000 0.00000 1.00000
Cl2 Cl 0.50000 0.00000 0.50000 1.00000
Cl3 Cl 0.00000 0.00000 0.00000 1.00000
Cl4 Cl 0.00000 0.00000 0.50000 1.00000
Get direct link