Ac4CuS7
Alexandria ALEXAlex-ID: agm003666484 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_98_spg12
AcCuS2 Ac2S3 AcS2
2022-04-27 21:43:11.145600
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003666484).
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 agm003666484
data_agm003666484
_cell_length_a 4.90355
_cell_length_b 8.80765
_cell_length_c 8.24771
_cell_angle_alpha 79.32674
_cell_angle_beta 72.70645
_cell_angle_gamma 73.83712
_cell_volume 324.61770
_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 0.58642 0.21353 0.61363 1.00000
Ac2 Ac 0.41358 0.78647 0.38637 1.00000
Ac3 Ac 0.72131 0.67336 0.88402 1.00000
Ac4 Ac 0.27869 0.32664 0.11598 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
S1 S 0.78656 0.86215 0.56472 1.00000
S2 S 0.21344 0.13785 0.43528 1.00000
S3 S 0.06751 0.74602 0.11896 1.00000
S4 S 0.93249 0.25398 0.88104 1.00000
S5 S 0.36199 0.54655 0.72948 1.00000
S6 S 0.50000 0.00000 0.00000 1.00000
S7 S 0.63801 0.45345 0.27052 1.00000
Get direct link