RbBe2H7
Alexandria ALEXAlex-ID: agm006201663 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_796_spg12
BeH4 RbBeH3
2024-01-30 11:39:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201663).
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 agm006201663
data_agm006201663
_cell_length_a 4.06541
_cell_length_b 4.06188
_cell_length_c 8.76922
_cell_angle_alpha 111.93438
_cell_angle_beta 68.16384
_cell_angle_gamma 135.31648
_cell_volume 93.19241
_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
Be1 Be 0.36905 0.96275 0.67205 1.00000
Be2 Be 0.57815 0.74852 0.32170 1.00000
Rb1 Rb 0.97315 0.35574 0.99676 1.00000
H1 H 0.93173 0.67593 0.32712 1.00000
H2 H 0.01458 0.03553 0.66651 1.00000
H3 H 0.29488 0.31621 0.66684 1.00000
H4 H 0.09923 0.22597 0.24769 1.00000
H5 H 0.47231 0.85555 0.49678 1.00000
H6 H 0.65145 0.39509 0.32684 1.00000
H7 H 0.84788 0.48609 0.74588 1.00000
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