Ru3S8
Alexandria ALEXAlex-ID: agm010133448 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B8_23_spg2
RuS11 RuS2
2024-12-06 09:18:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010133448).
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 agm010133448
data_agm010133448
_cell_length_a 8.01875
_cell_length_b 8.07763
_cell_length_c 9.89651
_cell_angle_alpha 90.15465
_cell_angle_beta 90.38655
_cell_angle_gamma 119.76438
_cell_volume 556.42779
_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
Ru1 Ru 0.16818 0.83595 0.16542 1.00000
Ru2 Ru 0.00000 0.50000 0.50000 1.00000
Ru3 Ru 0.50000 0.00000 0.50000 1.00000
Ru4 Ru 0.83182 0.16405 0.83458 1.00000
Ru5 Ru 0.00000 0.00000 0.50000 1.00000
Ru6 Ru 0.33432 0.16617 0.83528 1.00000
Ru7 Ru 0.83322 0.66739 0.83233 1.00000
Ru8 Ru 0.66568 0.83383 0.16472 1.00000
Ru9 Ru 0.16678 0.33261 0.16767 1.00000
S1 S 0.83814 0.67611 0.22789 1.00000
S2 S 0.39203 0.31405 0.30340 1.00000
S3 S 0.75549 0.23780 0.37521 1.00000
S4 S 0.18839 0.59572 0.29795 1.00000
S5 S 0.48356 0.74700 0.36633 1.00000
S6 S 0.90388 0.09556 0.29976 1.00000
S7 S 0.15068 0.32222 0.56115 1.00000
S8 S 0.73480 0.96728 0.63068 1.00000
S9 S 0.26520 0.03272 0.36932 1.00000
S10 S 0.84932 0.67778 0.43885 1.00000
S11 S 0.09612 0.90444 0.70024 1.00000
S12 S 0.51644 0.25300 0.63367 1.00000
S13 S 0.81161 0.40428 0.70205 1.00000
S14 S 0.24451 0.76220 0.62479 1.00000
S15 S 0.51034 0.02484 0.89670 1.00000
S16 S 0.05058 0.64286 0.97525 1.00000
S17 S 0.60797 0.68595 0.69660 1.00000
S18 S 0.16186 0.32389 0.77211 1.00000
S19 S 0.43129 0.56520 0.04649 1.00000
S20 S 0.85007 0.92546 0.96188 1.00000
S21 S 0.14993 0.07454 0.03812 1.00000
S22 S 0.56871 0.43480 0.95351 1.00000
S23 S 0.94942 0.35714 0.02475 1.00000
S24 S 0.48966 0.97516 0.10330 1.00000
