Sn2As
Alexandria ALEXAlex-ID: agm035970525 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_65_spg140
Sn4As3 Sn
2025-04-13 12:50:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035970525).
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 agm035970525
data_agm035970525
_cell_length_a 7.40472
_cell_length_b 7.40472
_cell_length_c 6.00997
_cell_angle_alpha 65.68935
_cell_angle_beta 114.31065
_cell_angle_gamma 148.08411
_cell_volume 157.43376
_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
Sn1 Sn 0.18305 0.81695 0.67935 1.00000
Sn2 Sn 0.81695 0.18305 0.32065 1.00000
Sn3 Sn 0.50000 0.50000 0.00000 1.00000
Sn4 Sn 0.50000 0.50000 0.50000 1.00000
As1 As 0.16701 0.83299 0.16538 1.00000
As2 As 0.83299 0.16701 0.83462 1.00000
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