Rb3BeAs5
Alexandria ALEXAlex-ID: agm072449342 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1531_spg1
Rb2As3 Rb3As7 RbBeAs
2024-09-25 21:53:08.902905
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072449342).
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 agm072449342
data_agm072449342
_cell_length_a 6.07977
_cell_length_b 7.13591
_cell_length_c 7.93158
_cell_angle_alpha 83.60376
_cell_angle_beta 115.95672
_cell_angle_gamma 109.67441
_cell_volume 291.07188
_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 0.59305 0.17309 0.53336 1.00000
Rb2 Rb 0.10608 0.59828 0.24172 1.00000
Rb3 Rb 0.33049 0.55689 0.83761 1.00000
Be1 Be 0.01642 0.93555 0.85993 1.00000
As1 As 0.02727 0.94343 0.54779 1.00000
As2 As 0.44027 0.10292 0.04597 1.00000
As3 As 0.99330 0.12640 0.05768 1.00000
As4 As 0.72498 0.88995 0.20760 1.00000
As5 As 0.76783 0.67271 0.66750 1.00000
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