Rb3Na5As3
Alexandria ALEXAlex-ID: agm005686853 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C5_63_spg189
Rb2NaAs Rb5As4 Na3As
2023-06-23 01:01:05.226285
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686853).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005686853
data_agm005686853
_cell_length_a 6.73821
_cell_length_b 9.07039
_cell_length_c 9.07039
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 480.09499
_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 0.00000 0.65319 1.00000 1.00000
Rb2 Rb 0.00000 0.00000 0.65319 1.00000
Rb3 Rb 0.00000 0.34681 0.34681 1.00000
Na1 Na 0.50000 0.66667 0.33333 1.00000
Na2 Na 0.50000 0.33333 0.66667 1.00000
Na3 Na 0.50000 0.27519 0.00000 1.00000
Na4 Na 0.50000 0.72481 0.72481 1.00000
Na5 Na 0.50000 0.00000 0.27519 1.00000
As1 As 0.50000 0.63641 0.00000 1.00000
As2 As 0.50000 0.36359 0.36359 1.00000
As3 As 0.50000 0.00000 0.63641 1.00000
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