Cs2SeF
Alexandria ALEXAlex-ID: agm005496697 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_33_spg122
CsSe CsF
2023-03-20 09:50:37.521291
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005496697).
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 agm005496697
data_agm005496697
_cell_length_a 7.64025
_cell_length_b 7.64025
_cell_length_c 7.64025
_cell_angle_alpha 112.68998
_cell_angle_beta 112.68998
_cell_angle_gamma 103.20940
_cell_volume 340.29148
_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 0.37500 0.79768 0.92268 1.00000
Cs2 Cs 0.87500 0.45232 0.07732 1.00000
Cs3 Cs 0.20232 0.12500 0.57732 1.00000
Cs4 Cs 0.54768 0.62500 0.42268 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
Se2 Se 0.75000 0.25000 0.50000 1.00000
F1 F 0.50000 0.50000 0.00000 1.00000
F2 F 0.25000 0.75000 0.50000 1.00000
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