Rb2H7W
Alexandria ALEXAlex-ID: agm006201647 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1151_spg1
RbH9 Rb3H8W W
2023-12-02 04:55:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201647).
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 agm006201647
data_agm006201647
_cell_length_a 5.71507
_cell_length_b 3.16792
_cell_length_c 9.03708
_cell_angle_alpha 98.60088
_cell_angle_beta 81.63601
_cell_angle_gamma 90.42126
_cell_volume 160.03711
_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
H1 H 0.92894 0.84539 0.12551 1.00000
H2 H 0.82249 0.75800 0.92754 1.00000
H3 H 0.15551 0.76594 0.93820 1.00000
H4 H 0.21058 0.33450 0.09255 1.00000
H5 H 0.50719 0.50897 0.50111 1.00000
H6 H 0.67053 0.32112 0.07091 1.00000
H7 H 0.02378 0.21068 0.80233 1.00000
W1 W 0.96832 0.29179 0.99694 1.00000
Rb1 Rb 0.53395 0.10628 0.72833 1.00000
Rb2 Rb 0.41111 0.91471 0.28476 1.00000
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