Sm3CdSn3
Alexandria ALEXAlex-ID: agm005933192 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_609_spg12
SmCdSn SmSn
2023-08-04 19:58:21.285775
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005933192).
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 agm005933192
data_agm005933192
_cell_length_a 4.63374
_cell_length_b 6.31848
_cell_length_c 14.62018
_cell_angle_alpha 82.43554
_cell_angle_beta 80.88185
_cell_angle_gamma 68.48889
_cell_volume 391.94349
_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
Sm1 Sm 0.51665 0.34280 0.62390 1.00000
Sm2 Sm 0.48335 0.65720 0.37610 1.00000
Sm3 Sm 0.26777 0.23963 0.22483 1.00000
Sm4 Sm 0.73223 0.76037 0.77517 1.00000
Sm5 Sm 0.39699 0.28345 0.92257 1.00000
Sm6 Sm 0.60301 0.71655 0.07743 1.00000
Cd1 Cd 0.77453 0.06943 0.38151 1.00000
Cd2 Cd 0.22547 0.93057 0.61849 1.00000
Sn1 Sn 0.86599 0.72171 0.54632 1.00000
Sn2 Sn 0.13401 0.27829 0.45368 1.00000
Sn3 Sn 0.12240 0.82995 0.92525 1.00000
Sn4 Sn 0.87760 0.17005 0.07475 1.00000
Sn5 Sn 0.99530 0.78481 0.22459 1.00000
Sn6 Sn 0.00470 0.21519 0.77541 1.00000
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