Rb3SnAs2
Alexandria ALEXAlex-ID: agm003422367 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_12_spg72
Rb2SnAs2 Rb5As4 RbSn
2022-02-12 14:53:35.063379
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003422367).
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 agm003422367
data_agm003422367
_cell_length_a 7.87996
_cell_length_b 9.18311
_cell_length_c 9.79853
_cell_angle_alpha 117.94319
_cell_angle_beta 113.70944
_cell_angle_gamma 90.00000
_cell_volume 557.73350
_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 0.50000 0.25000 0.00000 1.00000
Rb2 Rb 0.50000 0.75000 0.00000 1.00000
Rb3 Rb 0.76645 0.01645 0.53290 1.00000
Rb4 Rb 0.23355 0.48355 0.46710 1.00000
Rb5 Rb 0.23355 0.98355 0.46710 1.00000
Rb6 Rb 0.76645 0.51645 0.53290 1.00000
Sn1 Sn 0.00000 0.50000 0.00000 1.00000
Sn2 Sn 0.00000 0.00000 0.00000 1.00000
As1 As 0.65002 0.38494 0.76988 1.00000
As2 As 0.88014 0.11506 0.23012 1.00000
As3 As 0.11986 0.88494 0.76988 1.00000
As4 As 0.34998 0.61506 0.23012 1.00000
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