Ac(SO3)2
Alexandria ALEXAlex-ID: agm005686506 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1934_spg122
Ac(SO3)3 S8O Ac2SO6
2023-07-09 02:30:01.131334
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686506).
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 agm005686506
data_agm005686506
_cell_length_a 6.93841
_cell_length_b 6.93841
_cell_length_c 7.47309
_cell_angle_alpha 106.07482
_cell_angle_beta 106.07484
_cell_angle_gamma 113.79964
_cell_volume 283.72218
_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 0.49891 0.99891 0.50000 1.00000
Ac2 Ac 0.24891 0.24891 1.00000 1.00000
S1 S 0.75444 0.64620 0.53653 1.00000
S2 S 0.10967 0.21791 0.46347 1.00000
S3 S 0.89620 0.50444 0.03653 1.00000
S4 S 0.46791 0.85967 0.96347 1.00000
O1 O 0.52988 0.61345 0.38085 1.00000
O2 O 0.23260 0.14903 0.61915 1.00000
O3 O 0.86345 0.27988 0.88085 1.00000
O4 O 0.39903 0.98260 0.11915 1.00000
O5 O 0.11444 0.59265 0.23148 1.00000
O6 O 0.36117 0.88296 0.76852 1.00000
O7 O 0.84265 0.86444 0.73148 1.00000
O8 O 0.13296 0.11117 0.26852 1.00000
O9 O 0.68078 0.43582 0.58031 1.00000
O10 O 0.85551 0.10047 0.41969 1.00000
O11 O 0.68582 0.43078 0.08031 1.00000
O12 O 0.35047 0.60551 0.91969 1.00000
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