RhWSe2
Alexandria ALEXAlex-ID: agm002018113 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_6462_spg1
Rh2Se3 Rh3W WSe2
2021-11-13 05:48:41.378753
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002018113).
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
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# CIF generated by HEAS from Alexandria entry agm002018113
data_agm002018113
_cell_length_a 3.28677
_cell_length_b 6.27343
_cell_length_c 8.68344
_cell_angle_alpha 78.01535
_cell_angle_beta 80.45976
_cell_angle_gamma 83.45180
_cell_volume 172.13222
_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
Rh1 Rh 0.56999 0.34911 0.90546 1.00000
Rh2 Rh 0.93623 0.67246 0.00184 1.00000
W1 W 0.49685 0.92955 0.77003 1.00000
W2 W 0.06627 0.62849 0.70151 1.00000
Se1 Se 0.36226 0.95077 0.06126 1.00000
Se2 Se 0.97701 0.23996 0.64649 1.00000
Se3 Se 0.61731 0.80883 0.49173 1.00000
Se4 Se 0.43333 0.41878 0.17365 1.00000
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