Rb6PSe8
Alexandria ALEXAlex-ID: agm072811656 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_600_spg2
Rb2Se3 Rb3PSe4 RbSe
2024-10-07 07:04:13.312176
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072811656).
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 agm072811656
data_agm072811656
_cell_length_a 7.03803
_cell_length_b 9.06441
_cell_length_c 10.38953
_cell_angle_alpha 63.15826
_cell_angle_beta 74.89292
_cell_angle_gamma 77.59469
_cell_volume 567.31288
_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 0.45184 0.88594 0.76243 1.00000
Rb2 Rb 0.28854 0.38842 0.84581 1.00000
Rb3 Rb 0.14596 0.75847 0.44514 1.00000
Rb4 Rb 0.65698 0.11544 0.24595 1.00000
Rb5 Rb 0.76850 0.60727 0.17372 1.00000
Rb6 Rb 0.89560 0.27770 0.56022 1.00000
P1 P 0.91703 0.99455 0.89662 1.00000
Se1 Se 0.09010 0.91527 0.07306 1.00000
Se2 Se 0.58960 0.01939 0.98279 1.00000
Se3 Se 0.26468 0.44029 0.25005 1.00000
Se4 Se 0.13480 0.22512 0.23302 1.00000
Se5 Se 0.40326 0.34042 0.46752 1.00000
Se6 Se 0.78087 0.54332 0.74682 1.00000
Se7 Se 0.96399 0.80969 0.79119 1.00000
Se8 Se 0.64825 0.67873 0.52565 1.00000
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