SmSnF7
Alexandria ALEXAlex-ID: agm024158378 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_80_spg2
SmSnF7
2024-08-26 00:54:05.745456
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024158378).
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 agm024158378
data_agm024158378
_cell_length_a 5.85408
_cell_length_b 6.14595
_cell_length_c 8.36845
_cell_angle_alpha 77.03931
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 293.41712
_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 0.75302 0.15652 0.30979 1.00000
Sm2 Sm 0.25302 0.84348 0.69021 1.00000
Sn1 Sn 0.76052 0.31302 0.77448 1.00000
Sn2 Sn 0.26052 0.68698 0.22552 1.00000
F1 F 0.46133 0.04059 0.48407 1.00000
F2 F 0.96133 0.95941 0.51593 1.00000
F3 F 0.50216 0.45378 0.23484 1.00000
F4 F 0.00216 0.54622 0.76516 1.00000
F5 F 0.75615 0.27433 0.01727 1.00000
F6 F 0.25615 0.72567 0.98273 1.00000
F7 F 0.02891 0.44042 0.24504 1.00000
F8 F 0.52891 0.55958 0.75496 1.00000
F9 F 0.51302 0.91344 0.20160 1.00000
F10 F 0.01302 0.08656 0.79840 1.00000
F11 F 0.51841 0.07849 0.79496 1.00000
F12 F 0.01841 0.92151 0.20504 1.00000
F13 F 0.76839 0.36366 0.53083 1.00000
F14 F 0.26839 0.63634 0.46917 1.00000
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