Fe2AgS3
Alexandria ALEXAlex-ID: agm005290245 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_637_spg14
FeS2 Ag FeS
2023-05-10 05:46:23.054552
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005290245).
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 agm005290245
data_agm005290245
_cell_length_a 6.57834
_cell_length_b 6.46892
_cell_length_c 12.99613
_cell_angle_alpha 60.50880
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 481.39003
_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
Fe1 Fe 0.11433 0.16927 0.99596 1.00000
Fe2 Fe 0.61433 0.83073 0.50404 1.00000
Fe3 Fe 0.88567 0.83073 0.00404 1.00000
Fe4 Fe 0.38567 0.16927 0.49596 1.00000
Fe5 Fe 0.13013 0.50322 0.16845 1.00000
Fe6 Fe 0.63013 0.49678 0.33155 1.00000
Fe7 Fe 0.86987 0.49678 0.83155 1.00000
Fe8 Fe 0.36987 0.50322 0.66845 1.00000
Ag1 Ag 0.09765 0.81832 0.33615 1.00000
Ag2 Ag 0.59765 0.18168 0.16385 1.00000
Ag3 Ag 0.90235 0.18168 0.66385 1.00000
Ag4 Ag 0.40235 0.81832 0.83615 1.00000
S1 S 0.21766 0.19147 0.15206 1.00000
S2 S 0.71766 0.80853 0.34794 1.00000
S3 S 0.78234 0.80853 0.84794 1.00000
S4 S 0.28234 0.19147 0.65206 1.00000
S5 S 0.22493 0.83151 0.00885 1.00000
S6 S 0.72493 0.16849 0.49115 1.00000
S7 S 0.77507 0.16849 0.99115 1.00000
S8 S 0.27507 0.83151 0.50885 1.00000
S9 S 0.28524 0.47893 0.32875 1.00000
S10 S 0.78524 0.52107 0.17125 1.00000
S11 S 0.71476 0.52107 0.67125 1.00000
S12 S 0.21476 0.47893 0.82875 1.00000
