Na5(SnAs2)2
Alexandria ALEXAlex-ID: agm005674977 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_220_spg12
Na2SnAs2 Na5SnAs3 NaSnAs
2023-06-22 04:47:54.659623
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674977).
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 agm005674977
data_agm005674977
_cell_length_a 4.16078
_cell_length_b 9.33063
_cell_length_c 9.06123
_cell_angle_alpha 109.97827
_cell_angle_beta 103.27308
_cell_angle_gamma 90.00000
_cell_volume 320.59520
_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
Na1 Na 0.83250 0.53267 0.66499 1.00000
Na2 Na 0.16750 0.46733 0.33501 1.00000
Na3 Na 0.82442 0.06580 0.64884 1.00000
Na4 Na 0.50000 0.00000 0.00000 1.00000
Na5 Na 0.17558 0.93420 0.35116 1.00000
Sn1 Sn 0.44708 0.34113 0.89416 1.00000
Sn2 Sn 0.55292 0.65887 0.10584 1.00000
As1 As 0.28884 0.27577 0.57767 1.00000
As2 As 0.99566 0.77280 0.99132 1.00000
As3 As 0.71116 0.72423 0.42233 1.00000
As4 As 0.00434 0.22720 0.00868 1.00000
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