RuS2
Alexandria ALEXAlex-ID: agm002181985 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_757_spg12
RuS2
2018-06-18 08:22:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002181985).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm002181985
data_agm002181985
_cell_length_a 6.54740
_cell_length_b 6.89491
_cell_length_c 6.98199
_cell_angle_alpha 60.40815
_cell_angle_beta 75.95199
_cell_angle_gamma 58.22718
_cell_volume 232.94408
_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 0.49998 0.26783 0.49999 1.00000
Ru2 Ru 0.50002 0.73217 0.50001 1.00000
Ru3 Ru 0.92506 0.27536 0.52422 1.00000
Ru4 Ru 0.07494 0.72464 0.47578 1.00000
S1 S 0.30322 0.18892 0.31893 1.00000
S2 S 0.69678 0.81108 0.68107 1.00000
S3 S 0.84375 0.17966 0.27866 1.00000
S4 S 0.15625 0.82034 0.72134 1.00000
S5 S 0.37281 0.69786 0.23152 1.00000
S6 S 0.62719 0.30214 0.76848 1.00000
S7 S 0.84374 0.69795 0.27868 1.00000
S8 S 0.15626 0.30205 0.72132 1.00000
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