Ac(S3F)2
Alexandria ALEXAlex-ID: agm005672993 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2233_spg10
S5F AcS13 AcF3
2023-07-07 03:50:44.122065
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005672993).
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 agm005672993
data_agm005672993
_cell_length_a 4.14658
_cell_length_b 6.89280
_cell_length_c 7.67550
_cell_angle_alpha 90.03980
_cell_angle_beta 94.53470
_cell_angle_gamma 89.62962
_cell_volume 218.68663
_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 0.00000 0.00000 0.00000 1.00000
S1 S 0.88309 0.49670 0.24382 1.00000
S2 S 0.11691 0.50330 0.75618 1.00000
S3 S 0.89837 0.74117 0.64252 1.00000
S4 S 0.89081 0.26787 0.64634 1.00000
S5 S 0.10919 0.73213 0.35366 1.00000
S6 S 0.10163 0.25883 0.35748 1.00000
F1 F 0.50221 0.81020 0.00132 1.00000
F2 F 0.49779 0.18980 0.99868 1.00000
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