V3RuS6
Alexandria ALEXAlex-ID: agm002311368 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_6_spg2
V2S3 RuS2 Ru
2018-10-21 05:22:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002311368).
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 agm002311368
data_agm002311368
_cell_length_a 5.63395
_cell_length_b 5.69834
_cell_length_c 6.58188
_cell_angle_alpha 64.74483
_cell_angle_beta 63.95214
_cell_angle_gamma 60.48258
_cell_volume 159.11372
_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 0.50000 0.50000 0.50000 1.00000
S1 S 0.41662 0.74918 0.74863 1.00000
S2 S 0.08055 0.41599 0.76447 1.00000
S3 S 0.76777 0.08113 0.73555 1.00000
S4 S 0.58338 0.25082 0.25137 1.00000
S5 S 0.23223 0.91887 0.26445 1.00000
S6 S 0.91945 0.58401 0.23553 1.00000
V1 V 0.63690 0.70728 0.99220 1.00000
V2 V 0.36310 0.29272 0.00780 1.00000
V3 V 0.00000 0.00000 0.00000 1.00000
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