Ce4DyI8
Alexandria ALEXAlex-ID: agm098008501 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_84_spg12
DyI3 Ce CeI2
2025-06-16 04:24:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098008501).
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 agm098008501
data_agm098008501
_cell_length_a 8.14067
_cell_length_b 8.22807
_cell_length_c 8.22818
_cell_angle_alpha 59.98105
_cell_angle_beta 90.02500
_cell_angle_gamma 90.02686
_cell_volume 477.20963
_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 0.00002 0.99998 0.00003 1.00000
Ce2 Ce 0.99996 0.49998 0.00002 1.00000
Ce3 Ce 0.00002 0.50010 0.50001 1.00000
Ce4 Ce 1.00000 0.99994 0.49998 1.00000
Dy1 Dy 0.50001 0.00002 0.99989 1.00000
I1 I 0.27281 0.83087 0.83088 1.00000
I2 I 0.27304 0.33845 0.83105 1.00000
I3 I 0.26476 0.33349 0.33351 1.00000
I4 I 0.27310 0.83108 0.33840 1.00000
I5 I 0.72705 0.16898 0.66155 1.00000
I6 I 0.73514 0.66650 0.66656 1.00000
I7 I 0.72696 0.66157 0.16900 1.00000
I8 I 0.72714 0.16905 0.16912 1.00000
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