Ac2U3S8
Alexandria ALEXAlex-ID: agm003355331 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_251_spg12
Ac2US5 U2S3
2022-02-03 13:13:50.487750
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003355331).
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 agm003355331
data_agm003355331
_cell_length_a 6.78113
_cell_length_b 8.14249
_cell_length_c 8.36698
_cell_angle_alpha 119.11633
_cell_angle_beta 107.03643
_cell_angle_gamma 90.00000
_cell_volume 380.23337
_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 0.33584 0.26898 0.53796 1.00000
Ac2 Ac 0.66416 0.73102 0.46204 1.00000
U1 U 0.50000 0.00000 0.00000 1.00000
U2 U 1.00000 0.25564 1.00000 1.00000
U3 U 0.00000 0.74436 0.00000 1.00000
S1 S 0.94284 0.61337 0.22675 1.00000
S2 S 0.05716 0.38663 0.77325 1.00000
S3 S 0.91608 0.10868 0.21736 1.00000
S4 S 0.08392 0.89132 0.78264 1.00000
S5 S 0.59118 0.65622 0.76258 1.00000
S6 S 0.59118 0.10636 0.76258 1.00000
S7 S 0.40882 0.89364 0.23742 1.00000
S8 S 0.40882 0.34378 0.23742 1.00000
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