Ce(HI3)2
Alexandria ALEXAlex-ID: agm005685608 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1189_spg15
CeI4 H6I I
2023-07-12 19:29:22.275899
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685608).
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 agm005685608
data_agm005685608
_cell_length_a 7.56054
_cell_length_b 10.47311
_cell_length_c 10.47311
_cell_angle_alpha 81.15727
_cell_angle_beta 88.95393
_cell_angle_gamma 88.95392
_cell_volume 819.19215
_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 0.25000 0.09818 0.90182 1.00000
Ce2 Ce 0.75000 0.90182 0.09818 1.00000
H1 H 0.01071 0.61653 0.66125 1.00000
H2 H 0.48929 0.33875 0.38347 1.00000
H3 H 0.98929 0.38347 0.33875 1.00000
H4 H 0.51071 0.66125 0.61653 1.00000
I1 I 0.33157 0.72948 0.54768 1.00000
I2 I 0.16843 0.45232 0.27052 1.00000
I3 I 0.66843 0.27052 0.45232 1.00000
I4 I 0.83157 0.54768 0.72948 1.00000
I5 I 0.88412 0.87629 0.35973 1.00000
I6 I 0.61588 0.64027 0.12371 1.00000
I7 I 0.11588 0.12371 0.64027 1.00000
I8 I 0.38412 0.35973 0.87629 1.00000
I9 I 0.08963 0.81900 0.96392 1.00000
I10 I 0.41037 0.03608 0.18100 1.00000
I11 I 0.91037 0.18100 0.03608 1.00000
I12 I 0.58963 0.96392 0.81900 1.00000
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