Rb2LaH9
Alexandria ALEXAlex-ID: agm101894402 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_753_spg1
RbH7 LaH3 RbH
2025-05-23 15:34:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101894402).
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 agm101894402
data_agm101894402
_cell_length_a 3.99069
_cell_length_b 7.51476
_cell_length_c 7.04528
_cell_angle_alpha 118.15581
_cell_angle_beta 90.18209
_cell_angle_gamma 92.56919
_cell_volume 186.02154
_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 0.37501 0.31743 0.69788 1.00000
Rb2 Rb 0.32304 0.73350 0.37051 1.00000
La1 La 0.86091 0.09922 0.10657 1.00000
H1 H 0.35342 0.05176 0.87819 1.00000
H2 H 0.87827 0.38405 0.04924 1.00000
H3 H 0.90032 0.39752 0.42852 1.00000
H4 H 0.60382 0.73995 0.81073 1.00000
H5 H 0.34850 0.92708 0.10992 1.00000
H6 H 0.74497 0.68234 0.73606 1.00000
H7 H 0.38147 0.30366 0.14302 1.00000
H8 H 0.85297 0.03188 0.40279 1.00000
H9 H 0.37729 0.33162 0.26657 1.00000
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