Ce4Sm8F
Alexandria ALEXAlex-ID: agm098002698 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1385_spg5
SmF3 Ce Sm
2025-06-15 11:09:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098002698).
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 agm098002698
data_agm098002698
_cell_length_a 11.66937
_cell_length_b 3.51235
_cell_length_c 11.60430
_cell_angle_alpha 90.00000
_cell_angle_beta 120.16634
_cell_angle_gamma 90.00000
_cell_volume 411.21104
_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
Ce1 Ce 0.96580 0.50000 0.99994 1.00000
Ce2 Ce 0.48907 0.50000 0.99998 1.00000
Ce3 Ce 0.49371 0.50000 0.50097 1.00000
Ce4 Ce 0.99267 0.50000 0.49896 1.00000
Sm1 Sm 0.81864 0.00000 0.16820 1.00000
Sm2 Sm 0.34105 0.00000 0.17511 1.00000
Sm3 Sm 0.32740 0.00000 0.65932 1.00000
Sm4 Sm 0.81836 0.00000 0.66595 1.00000
Sm5 Sm 0.15220 0.00000 0.33398 1.00000
Sm6 Sm 0.66797 0.00000 0.34066 1.00000
Sm7 Sm 0.65048 0.00000 0.83176 1.00000
Sm8 Sm 0.16588 0.00000 0.82498 1.00000
F1 F 0.11677 0.00000 0.00020 1.00000
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