Ac(SeF4)2
Alexandria ALEXAlex-ID: agm003524601 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_602_spg12
SeF4 Se AcF3
2022-03-15 06:49:11.667517
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003524601).
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 agm003524601
data_agm003524601
_cell_length_a 5.47999
_cell_length_b 6.71853
_cell_length_c 6.71853
_cell_angle_alpha 45.49818
_cell_angle_beta 85.76288
_cell_angle_gamma 85.76288
_cell_volume 175.85630
_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
Se1 Se 0.45475 0.70155 0.70155 1.00000
Se2 Se 0.54525 0.29845 0.29845 1.00000
F1 F 0.29032 0.34843 0.83337 1.00000
F2 F 0.70968 0.16663 0.65157 1.00000
F3 F 0.15962 0.80433 0.80433 1.00000
F4 F 0.84038 0.19567 0.19567 1.00000
F5 F 0.29032 0.83337 0.34843 1.00000
F6 F 0.70968 0.65157 0.16663 1.00000
F7 F 0.75420 0.61440 0.61440 1.00000
F8 F 0.24580 0.38560 0.38560 1.00000
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