RbHSeCl
Alexandria ALEXAlex-ID: agm002075845 · Space group: Pmm2 (#25)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD_808_spg25
H2Se RbCl Se
2021-11-09 03:50:04.831803
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002075845).
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 agm002075845
data_agm002075845
_cell_length_a 3.35794
_cell_length_b 4.77694
_cell_length_c 7.41564
_cell_angle_alpha 89.78632
_cell_angle_beta 89.65527
_cell_angle_gamma 89.99952
_cell_volume 118.94893
_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 0.89458 0.70016 0.84013 1.00000
H1 H 0.40106 0.20137 0.31831 1.00000
Se1 Se 0.40014 0.20190 0.52232 1.00000
Cl1 Cl 0.39200 0.19911 0.01728 1.00000
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