Ac5S5N
Alexandria ALEXAlex-ID: agm003673467 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C5_41_spg12
Ac3S3N AcS
2022-04-09 15:23:45.424529
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003673467).
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 agm003673467
data_agm003673467
_cell_length_a 5.98230
_cell_length_b 7.38487
_cell_length_c 8.41493
_cell_angle_alpha 106.80752
_cell_angle_beta 90.00000
_cell_angle_gamma 113.89348
_cell_volume 322.45301
_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 0.85230 0.70460 0.16141 1.00000
Ac2 Ac 0.84175 0.68350 0.68025 1.00000
Ac3 Ac 0.50000 0.00000 0.00000 1.00000
Ac4 Ac 0.15825 0.31650 0.31975 1.00000
Ac5 Ac 0.14770 0.29540 0.83859 1.00000
S1 S 0.67748 0.35496 0.32779 1.00000
S2 S 0.67035 0.34069 0.84169 1.00000
S3 S 0.00000 0.00000 0.50000 1.00000
S4 S 0.32965 0.65931 0.15831 1.00000
S5 S 0.32252 0.64504 0.67221 1.00000
N1 N 0.00000 0.00000 0.00000 1.00000
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