Cu2Sn
Alexandria ALEXAlex-ID: agm005541978 · Space group: P4/nmm (#129)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_2719_spg129
Sn Cu
2023-05-28 11:25:10.124019
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005541978).
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 agm005541978
data_agm005541978
_cell_length_a 3.92485
_cell_length_b 3.92440
_cell_length_c 6.34169
_cell_angle_alpha 90.00926
_cell_angle_beta 90.01185
_cell_angle_gamma 89.99468
_cell_volume 97.67889
_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
Cu1 Cu 0.25013 0.24992 0.50000 1.00000
Cu2 Cu 0.74987 0.75008 0.50000 1.00000
Cu3 Cu 0.74996 0.24991 0.23804 1.00000
Cu4 Cu 0.25004 0.75009 0.76196 1.00000
Sn1 Sn 0.24982 0.74981 0.18446 1.00000
Sn2 Sn 0.75018 0.25019 0.81554 1.00000
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