Ag5PS8
Alexandria ALEXAlex-ID: agm006116668 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_190_spg82
Ag3PS4 AgS2
2023-08-13 17:45:53.067561
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116668).
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 agm006116668
data_agm006116668
_cell_length_a 8.40188
_cell_length_b 8.40188
_cell_length_c 8.40188
_cell_angle_alpha 96.14311
_cell_angle_beta 96.14310
_cell_angle_gamma 141.81103
_cell_volume 346.51504
_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
Ag1 Ag 0.89451 0.40632 0.81503 1.00000
Ag2 Ag 0.59368 0.40871 0.48819 1.00000
Ag3 Ag 0.59129 0.07948 0.18497 1.00000
Ag4 Ag 0.50000 0.50000 0.00000 1.00000
Ag5 Ag 0.92052 0.10549 0.51181 1.00000
P1 P 0.25000 0.75000 0.50000 1.00000
S1 S 0.11198 0.79751 0.29376 1.00000
S2 S 0.20249 0.49625 0.31447 1.00000
S3 S 0.55932 0.77703 0.24295 1.00000
S4 S 0.22297 0.46591 0.78228 1.00000
S5 S 0.68363 0.44068 0.21772 1.00000
S6 S 0.18178 0.88802 0.68553 1.00000
S7 S 0.50375 0.81822 0.70624 1.00000
S8 S 0.53409 0.31637 0.75705 1.00000
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