Rb2H5Se2
Alexandria ALEXAlex-ID: agm007019985 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_222_spg12
RbH4Se RbHSe
2024-01-27 21:44:13.101184
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007019985).
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 agm007019985
data_agm007019985
_cell_length_a 4.33101
_cell_length_b 5.52979
_cell_length_c 8.46970
_cell_angle_alpha 105.01871
_cell_angle_beta 98.67798
_cell_angle_gamma 90.07744
_cell_volume 193.50003
_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 0.74847 0.68393 0.34215 1.00000
Rb2 Rb 0.25153 0.31607 0.65785 1.00000
H1 H 0.33383 0.77947 0.58064 1.00000
H2 H 0.66617 0.22053 0.41936 1.00000
H3 H 0.49429 0.90788 0.88442 1.00000
H4 H 0.50571 0.09212 0.11558 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.76783 0.88048 0.79524 1.00000
Se2 Se 0.23217 0.11952 0.20476 1.00000
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