Ca2AgS9
Alexandria ALEXAlex-ID: agm102000269 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_576_spg1
AgS2 AgS9 CaS
2025-05-24 01:58:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm102000269).
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
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# CIF generated by HEAS from Alexandria entry agm102000269
data_agm102000269
_cell_length_a 4.06295
_cell_length_b 9.02046
_cell_length_c 8.68073
_cell_angle_alpha 102.23999
_cell_angle_beta 75.37725
_cell_angle_gamma 83.34823
_cell_volume 295.97838
_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
Ca1 Ca 0.29048 0.29325 0.60967 1.00000
Ca2 Ca 0.90435 0.72190 0.34903 1.00000
Ag1 Ag 0.22874 0.02112 0.10698 1.00000
S1 S 0.20369 0.10727 0.85294 1.00000
S2 S 0.63664 0.40697 0.85766 1.00000
S3 S 0.38829 0.55783 0.47495 1.00000
S4 S 0.61741 0.63410 0.86036 1.00000
S5 S 0.50182 0.75950 0.10544 1.00000
S6 S 0.26858 0.89911 0.69166 1.00000
S7 S 0.73615 0.40902 0.26339 1.00000
S8 S 0.28760 0.95773 0.47100 1.00000
S9 S 0.93624 0.23221 0.35692 1.00000
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