CeSmF7
Alexandria ALEXAlex-ID: agm024275835 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
Ce3SmF15 SmF3
2024-11-14 16:47:12.243837
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024275835).
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 agm024275835
data_agm024275835
_cell_length_a 6.11352
_cell_length_b 6.36289
_cell_length_c 8.66091
_cell_angle_alpha 76.68138
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 327.84531
_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 0.70353 0.68372 0.22548 1.00000
Ce2 Ce 0.20353 0.31628 0.77452 1.00000
Sm1 Sm 0.70265 0.85089 0.68591 1.00000
Sm2 Sm 0.20265 0.14911 0.31409 1.00000
F1 F 0.94866 0.00210 0.49797 1.00000
F2 F 0.44866 0.99790 0.50203 1.00000
F3 F 0.44120 0.57818 0.75539 1.00000
F4 F 0.94120 0.42182 0.24461 1.00000
F5 F 0.95961 0.57326 0.75470 1.00000
F6 F 0.45961 0.42674 0.24530 1.00000
F7 F 0.94529 0.07389 0.79318 1.00000
F8 F 0.44529 0.92611 0.20682 1.00000
F9 F 0.70181 0.72756 0.97057 1.00000
F10 F 0.20181 0.27244 0.02943 1.00000
F11 F 0.70148 0.63960 0.48044 1.00000
F12 F 0.20148 0.36040 0.51956 1.00000
F13 F 0.47212 0.08445 0.79212 1.00000
F14 F 0.97212 0.91555 0.20788 1.00000
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