YCdI6
Alexandria ALEXAlex-ID: agm003764530 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_206_spg148
YI3 CdI2 I
2022-04-20 07:48:43.977113
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003764530).
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 agm003764530
data_agm003764530
_cell_length_a 7.53157
_cell_length_b 7.52433
_cell_length_c 7.95707
_cell_angle_alpha 61.41015
_cell_angle_beta 61.73939
_cell_angle_gamma 60.04355
_cell_volume 326.34050
_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
Y1 Y 0.50000 0.50000 0.50000 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
I1 I 0.07474 0.42497 0.74920 1.00000
I2 I 0.74961 0.07422 0.75144 1.00000
I3 I 0.57591 0.25045 0.25017 1.00000
I4 I 0.25039 0.92578 0.24856 1.00000
I5 I 0.92526 0.57503 0.25080 1.00000
I6 I 0.42409 0.74955 0.74983 1.00000
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