AcS11
Alexandria ALEXAlex-ID: agm066444227 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB11_81_spg1
AcS2 AcS13
2024-09-13 13:06:41.187311
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm066444227).
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 agm066444227
data_agm066444227
_cell_length_a 7.05425
_cell_length_b 8.33808
_cell_length_c 8.36936
_cell_angle_alpha 95.20714
_cell_angle_beta 107.92724
_cell_angle_gamma 110.34419
_cell_volume 428.23117
_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 0.93396 0.00411 0.98763 1.00000
S1 S 0.30211 0.25896 0.33868 1.00000
S2 S 0.70573 0.73397 0.65724 1.00000
S3 S 0.74974 0.23465 0.76065 1.00000
S4 S 0.88487 0.89044 0.31200 1.00000
S5 S 0.13036 0.66688 0.92174 1.00000
S6 S 0.35942 0.05555 0.26147 1.00000
S7 S 0.98701 0.14654 0.38308 1.00000
S8 S 0.07571 0.39832 0.83661 1.00000
S9 S 0.65795 0.19829 0.96753 1.00000
S10 S 0.07159 0.77765 0.72190 1.00000
S11 S 0.64155 0.63463 0.85147 1.00000
Get direct link