Sm3C2F
Alexandria ALEXAlex-ID: agm005802862 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_39_spg63
Sm6C3F2 Sm2CF2 Sm4C5
2023-08-07 08:24:11.353294
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802862).
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 agm005802862
data_agm005802862
_cell_length_a 3.73233
_cell_length_b 6.55646
_cell_length_c 10.79104
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 106.53670
_cell_volume 253.14368
_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 0.61540 0.23079 0.07634 1.00000
Sm2 Sm 0.08638 0.17276 0.75000 1.00000
Sm3 Sm 0.61540 0.23079 0.42366 1.00000
Sm4 Sm 0.91362 0.82724 0.25000 1.00000
Sm5 Sm 0.38460 0.76921 0.92366 1.00000
Sm6 Sm 0.38460 0.76921 0.57634 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
C2 C 0.00000 0.00000 0.50000 1.00000
C3 C 0.52364 0.04728 0.25000 1.00000
C4 C 0.47636 0.95272 0.75000 1.00000
F1 F 0.26688 0.53376 0.25000 1.00000
F2 F 0.73312 0.46624 0.75000 1.00000
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