Rb2H5Se2
Alexandria ALEXAlex-ID: agm007102285 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_498_spg12
RbH4Se RbHSe
2024-01-27 21:24:58.084281
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007102285).
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 agm007102285
data_agm007102285
_cell_length_a 4.29775
_cell_length_b 6.73990
_cell_length_c 6.77177
_cell_angle_alpha 87.68894
_cell_angle_beta 109.03600
_cell_angle_gamma 108.33263
_cell_volume 175.59201
_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 0.49487 0.24445 0.75583 1.00000
Rb2 Rb 0.50513 0.75555 0.24417 1.00000
H1 H 0.96972 0.45685 0.45654 1.00000
H2 H 0.03028 0.54315 0.54346 1.00000
H3 H 0.56596 0.19414 0.19419 1.00000
H4 H 0.43404 0.80586 0.80581 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.17848 0.20458 0.20450 1.00000
Se2 Se 0.82152 0.79542 0.79550 1.00000
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