Fe2S9
Alexandria ALEXAlex-ID: agm007757872 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B9_45_spg2
FeS11 FeS2
2024-05-06 03:00:39.901029
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007757872).
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 agm007757872
data_agm007757872
_cell_length_a 8.26447
_cell_length_b 9.99891
_cell_length_c 8.83108
_cell_angle_alpha 83.36332
_cell_angle_beta 114.08964
_cell_angle_gamma 115.78376
_cell_volume 598.17280
_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 0.96043 0.39394 0.09527 1.00000
Fe2 Fe 0.04957 0.08554 0.39596 1.00000
Fe3 Fe 0.03957 0.60606 0.90473 1.00000
Fe4 Fe 0.95043 0.91446 0.60404 1.00000
S1 S 0.75012 0.33212 0.38322 1.00000
S2 S 0.40280 0.35176 0.34220 1.00000
S3 S 0.27559 0.65080 0.84806 1.00000
S4 S 0.69755 0.87354 0.63864 1.00000
S5 S 0.72441 0.34920 0.15194 1.00000
S6 S 0.30245 0.12646 0.36136 1.00000
S7 S 0.14738 0.15427 0.65060 1.00000
S8 S 0.16133 0.62277 0.18204 1.00000
S9 S 0.85262 0.84573 0.34940 1.00000
S10 S 0.83867 0.37723 0.81796 1.00000
S11 S 0.25254 0.01210 0.79723 1.00000
S12 S 0.03727 0.76341 0.06049 1.00000
S13 S 0.74746 0.98790 0.20277 1.00000
S14 S 0.96273 0.23659 0.93951 1.00000
S15 S 0.59720 0.64824 0.65780 1.00000
S16 S 0.24988 0.66788 0.61677 1.00000
S17 S 0.12636 0.32508 0.33641 1.00000
S18 S 0.87364 0.67492 0.66359 1.00000
