CeSb3Cl5
Alexandria ALEXAlex-ID: agm072174065 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1103_spg1
SbCl3 Sb CeCl3
2024-09-24 05:41:50.494610
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072174065).
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 agm072174065
data_agm072174065
_cell_length_a 4.14664
_cell_length_b 7.85842
_cell_length_c 12.86799
_cell_angle_alpha 67.73163
_cell_angle_beta 99.58569
_cell_angle_gamma 68.43865
_cell_volume 337.34497
_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 0.07422 0.92507 0.99839 1.00000
Sb1 Sb 0.14738 0.70750 0.59060 1.00000
Sb2 Sb 0.25534 0.08085 0.53187 1.00000
Sb3 Sb 0.67639 0.08258 0.36773 1.00000
Cl1 Cl 0.55555 0.49683 0.51774 1.00000
Cl2 Cl 0.02672 0.85628 0.81688 1.00000
Cl3 Cl 0.11559 0.00029 0.17845 1.00000
Cl4 Cl 0.32685 0.20440 0.89605 1.00000
Cl5 Cl 0.82193 0.64626 0.10227 1.00000
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