AcS5
Alexandria ALEXAlex-ID: agm005545982 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_204_spg11
AcS2 AcS13
2023-05-29 07:01:21.946013
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005545982).
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 agm005545982
data_agm005545982
_cell_length_a 4.51760
_cell_length_b 7.77999
_cell_length_c 10.42712
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00001
_cell_angle_gamma 109.14853
_cell_volume 346.20373
_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 0.60792 0.30246 0.75000 1.00000
Ac2 Ac 0.39208 0.69754 0.25000 1.00000
S1 S 0.43004 0.38508 0.06178 1.00000
S2 S 0.56996 0.61492 0.93822 1.00000
S3 S 0.68904 0.39858 0.25000 1.00000
S4 S 0.31096 0.60142 0.75000 1.00000
S5 S 0.01468 0.91576 0.14911 1.00000
S6 S 0.98532 0.08424 0.85089 1.00000
S7 S 0.98532 0.08424 0.64911 1.00000
S8 S 0.01468 0.91576 0.35089 1.00000
S9 S 0.43004 0.38508 0.43822 1.00000
S10 S 0.56996 0.61492 0.56178 1.00000
Get direct link