CeI4
Alexandria ALEXAlex-ID: agm010134603 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_21_spg43
CeI4
2025-01-26 04:19:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010134603).
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
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# CIF generated by HEAS from Alexandria entry agm010134603
data_agm010134603
_cell_length_a 8.64832
_cell_length_b 8.64832
_cell_length_c 7.82075
_cell_angle_alpha 91.02800
_cell_angle_beta 88.97200
_cell_angle_gamma 117.07946
_cell_volume 520.70177
_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 0.14184 0.14184 0.75000 1.00000
Ce2 Ce 0.85816 0.85816 0.25000 1.00000
I1 I 0.22829 0.99828 0.07487 1.00000
I2 I 0.99828 0.22829 0.42513 1.00000
I3 I 0.77171 0.00172 0.92513 1.00000
I4 I 0.00172 0.77171 0.57487 1.00000
I5 I 0.23132 0.48692 0.88554 1.00000
I6 I 0.48692 0.23132 0.61446 1.00000
I7 I 0.76868 0.51308 0.11446 1.00000
I8 I 0.51308 0.76868 0.38554 1.00000
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