Cd2I6F
Alexandria ALEXAlex-ID: agm097175196 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1998_spg2
CdI2 I CdF2
2025-04-08 13:05:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097175196).
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 agm097175196
data_agm097175196
_cell_length_a 7.31675
_cell_length_b 7.47956
_cell_length_c 8.64831
_cell_angle_alpha 85.22296
_cell_angle_beta 88.57062
_cell_angle_gamma 78.14573
_cell_volume 461.57013
_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
Cd1 Cd 0.11141 0.70315 0.21651 1.00000
Cd2 Cd 0.56476 0.84193 0.44498 1.00000
I1 I 0.30469 0.70452 0.89382 1.00000
I2 I 0.72926 0.46997 0.54440 1.00000
I3 I 0.22143 0.33524 0.21374 1.00000
I4 I 0.01504 0.59307 0.71583 1.00000
I5 I 0.78438 0.96825 0.20161 1.00000
I6 I 0.45867 0.05424 0.69308 1.00000
F1 F 0.31036 0.82962 0.32604 1.00000
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