Cs2IF7
Alexandria ALEXAlex-ID: agm087288917 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_2018_spg63
Cs2IF7
2025-03-15 06:10:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm087288917).
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 agm087288917
data_agm087288917
_cell_length_a 6.75504
_cell_length_b 9.03627
_cell_length_c 7.89562
_cell_angle_alpha 90.00000
_cell_angle_beta 115.27751
_cell_angle_gamma 90.00000
_cell_volume 435.80515
_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
Cs1 Cs 0.50077 0.65217 0.00152 1.00000
Cs2 Cs 0.49923 0.15217 0.99848 1.00000
Cs3 Cs 0.19072 0.40302 0.38029 1.00000
Cs4 Cs 0.80928 0.90302 0.61971 1.00000
I1 I 0.12599 0.90316 0.25269 1.00000
I2 I 0.87401 0.40316 0.74731 1.00000
F1 F 0.18930 0.40248 0.99190 1.00000
F2 F 0.81070 0.90248 0.00810 1.00000
F3 F 0.35419 0.06656 0.30898 1.00000
F4 F 0.64581 0.56656 0.69102 1.00000
F5 F 0.35492 0.73997 0.31050 1.00000
F6 F 0.64508 0.23997 0.68950 1.00000
F7 F 0.26584 0.90398 0.53351 1.00000
F8 F 0.73416 0.40398 0.46649 1.00000
F9 F 0.19646 0.90249 0.00795 1.00000
F10 F 0.80354 0.40249 0.99205 1.00000
F11 F 0.95506 0.73972 0.31023 1.00000
F12 F 0.04494 0.23972 0.68977 1.00000
F13 F 0.04576 0.56679 0.69128 1.00000
F14 F 0.95424 0.06679 0.30872 1.00000
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