Cs2P(SF2)2
Alexandria ALEXAlex-ID: agm004565637 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_261_spg12
Cs4P2S9 CsPF6 Cs2S5 CsF
2022-06-19 13:43:16.081209
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004565637).
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 agm004565637
data_agm004565637
_cell_length_a 5.73288
_cell_length_b 6.65452
_cell_length_c 6.65452
_cell_angle_alpha 61.23006
_cell_angle_beta 90.56389
_cell_angle_gamma 90.56389
_cell_volume 222.51473
_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 0.23535 0.66842 0.66842 1.00000
Cs2 Cs 0.76465 0.33158 0.33158 1.00000
P1 P 0.50000 0.00000 0.00000 1.00000
S1 S 0.17095 0.09086 0.09086 1.00000
S2 S 0.82905 0.90914 0.90914 1.00000
F1 F 0.39721 0.72694 0.08626 1.00000
F2 F 0.60279 0.91374 0.27306 1.00000
F3 F 0.60279 0.27306 0.91374 1.00000
F4 F 0.39721 0.08626 0.72694 1.00000
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