RbAsCl3
Alexandria ALEXAlex-ID: agm005751447 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_7443_spg2
Rb3As2Cl9 As
2023-07-03 10:05:51.300760
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751447).
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 agm005751447
data_agm005751447
_cell_length_a 12.42059
_cell_length_b 6.46685
_cell_length_c 10.57756
_cell_angle_alpha 79.20889
_cell_angle_beta 29.52104
_cell_angle_gamma 80.73427
_cell_volume 411.23379
_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 0.80146 0.52062 0.45175 1.00000
Rb2 Rb 0.30175 0.00533 0.01177 1.00000
As1 As 0.12433 0.32814 0.54367 1.00000
As2 As 0.97887 0.19782 0.91986 1.00000
Cl1 Cl 0.29406 0.49115 0.06691 1.00000
Cl2 Cl 0.92049 0.52875 0.00354 1.00000
Cl3 Cl 0.31750 0.15371 0.65077 1.00000
Cl4 Cl 0.78567 0.37221 0.81278 1.00000
Cl5 Cl 0.80916 0.03486 0.39661 1.00000
Cl6 Cl 0.18275 0.99721 0.45995 1.00000
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