Sm4SF8
Alexandria ALEXAlex-ID: agm097575490 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1394_spg1
Sm6S5 Sm SmF3
2025-06-15 09:26:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097575490).
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 agm097575490
data_agm097575490
_cell_length_a 4.29911
_cell_length_b 7.75283
_cell_length_c 8.03441
_cell_angle_alpha 118.31687
_cell_angle_beta 90.05631
_cell_angle_gamma 88.94214
_cell_volume 235.69555
_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 0.05520 0.06529 0.98887 1.00000
Sm2 Sm 0.84948 0.08775 0.50574 1.00000
Sm3 Sm 0.04728 0.58996 0.97798 1.00000
Sm4 Sm 0.07606 0.57179 0.47231 1.00000
S1 S 0.56627 0.87082 0.06471 1.00000
F1 F 0.01132 0.22676 0.31981 1.00000
F2 F 0.84055 0.26169 0.85229 1.00000
F3 F 0.57307 0.63932 0.46102 1.00000
F4 F 0.86413 0.44365 0.65898 1.00000
F5 F 0.22322 0.40008 0.13682 1.00000
F6 F 0.35252 0.16310 0.58513 1.00000
F7 F 0.04016 0.77152 0.31184 1.00000
F8 F 0.00074 0.90826 0.66450 1.00000
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