Rb5P(Se2F)2
Alexandria ALEXAlex-ID: agm004680452 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D5_22_spg38
Rb3PSe4 RbF
2022-06-22 21:56:59.015674
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004680452).
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 agm004680452
data_agm004680452
_cell_length_a 7.65493
_cell_length_b 7.33644
_cell_length_c 8.83400
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 121.44676
_cell_volume 423.24968
_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
Rb1 Rb 0.12721 0.41808 0.27772 1.00000
Rb2 Rb 0.29906 0.00000 0.50000 1.00000
Rb3 Rb 0.12721 0.41808 0.72228 1.00000
Rb4 Rb 0.70912 0.58192 0.72228 1.00000
Rb5 Rb 0.70912 0.58192 0.27772 1.00000
P1 P 0.41917 0.00000 0.00000 1.00000
Se1 Se 0.58742 0.00000 0.20733 1.00000
Se2 Se 0.58742 0.00000 0.79267 1.00000
Se3 Se 0.38306 0.28261 0.00000 1.00000
Se4 Se 0.10046 0.71739 0.00000 1.00000
F1 F 0.97380 0.59120 0.50000 1.00000
F2 F 0.38260 0.40880 0.50000 1.00000
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