FeCu4Si2RhS8
Alexandria ALEXAlex-ID: agm010287066 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4E8_34_spg1
Cu(RhS2)2 Cu3SiS4 SiS2 FeS2 Si2Rh3
2024-06-27 12:50:23.978873
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010287066).
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 agm010287066
data_agm010287066
_cell_length_a 5.26012
_cell_length_b 6.44774
_cell_length_c 9.83804
_cell_angle_alpha 90.20023
_cell_angle_beta 105.50865
_cell_angle_gamma 114.01861
_cell_volume 291.27666
_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 0.62361 0.37503 0.87550 1.00000
Cu1 Cu 0.37112 0.62312 0.12332 1.00000
Cu2 Cu 0.87920 0.12685 0.62764 1.00000
Cu3 Cu 0.99757 0.00105 0.00006 1.00000
Cu4 Cu 0.50253 0.49838 0.49912 1.00000
Si1 Si 0.75287 0.24992 0.24977 1.00000
Si2 Si 0.24658 0.74961 0.75006 1.00000
Rh1 Rh 0.12723 0.87667 0.37473 1.00000
S1 S 0.06814 0.68830 0.92907 1.00000
S2 S 0.58371 0.19350 0.43155 1.00000
S3 S 0.31033 0.45216 0.69186 1.00000
S4 S 0.79987 0.94789 0.18657 1.00000
S5 S 0.17207 0.54485 0.30744 1.00000
S6 S 0.66316 0.04973 0.80848 1.00000
S7 S 0.45377 0.31154 0.07100 1.00000
S8 S 0.94825 0.81138 0.57383 1.00000
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