Sm2SnAs
Alexandria ALEXAlex-ID: agm003633071 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_434_spg63
SmSn SmAs
2022-04-14 03:52:47.603355
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003633071).
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 agm003633071
data_agm003633071
_cell_length_a 4.29203
_cell_length_b 4.41785
_cell_length_c 12.03680
_cell_angle_alpha 100.57452
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 224.36036
_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 0.75000 0.68873 0.37745 1.00000
Sm2 Sm 0.25000 0.31127 0.62255 1.00000
Sm3 Sm 0.75000 0.93169 0.86338 1.00000
Sm4 Sm 0.25000 0.06831 0.13662 1.00000
Sn1 Sn 0.25000 0.45469 0.90938 1.00000
Sn2 Sn 0.75000 0.54531 0.09062 1.00000
As1 As 0.25000 0.18896 0.37793 1.00000
As2 As 0.75000 0.81104 0.62207 1.00000
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