AcSbF
Alexandria ALEXAlex-ID: agm003598397 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_6947_spg160
AcSb Sb AcF3
2022-03-06 19:25:21.211776
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003598397).
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 agm003598397
data_agm003598397
_cell_length_a 4.36691
_cell_length_b 4.36703
_cell_length_c 11.57850
_cell_angle_alpha 79.10565
_cell_angle_beta 79.11680
_cell_angle_gamma 60.00694
_cell_volume 186.63258
_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
Ac1 Ac 0.35901 0.64650 0.04578 1.00000
Ac2 Ac 0.56214 0.84922 0.43633 1.00000
Sb1 Sb 0.96059 0.24785 0.24106 1.00000
Sb2 Sb 0.45974 0.74842 0.74106 1.00000
F1 F 0.21576 0.50286 0.47539 1.00000
F2 F 0.70539 0.99289 0.00672 1.00000
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