Ce4C2Cl
Alexandria ALEXAlex-ID: agm005915840 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_167_spg166
Ce2C2Cl Ce
2023-09-05 00:50:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005915840).
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 agm005915840
data_agm005915840
_cell_length_a 3.59168
_cell_length_b 3.59168
_cell_length_c 13.81867
_cell_angle_alpha 82.53286
_cell_angle_beta 82.53286
_cell_angle_gamma 60.00000
_cell_volume 152.63193
_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
C1 C 0.42224 0.42224 0.73327 1.00000
C2 C 0.57776 0.57776 0.26673 1.00000
Ce1 Ce 0.12286 0.12286 0.63141 1.00000
Ce2 Ce 0.27924 0.27924 0.16228 1.00000
Ce3 Ce 0.72076 0.72076 0.83772 1.00000
Ce4 Ce 0.87714 0.87714 0.36859 1.00000
Cl1 Cl 0.00000 0.00000 0.00000 1.00000
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