Rb2VS2
Alexandria ALEXAlex-ID: agm005962915 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_30_spg72
Rb5(VS3)2 V9S2 Rb2S
2023-08-04 11:00:13.406116
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962915).
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 agm005962915
data_agm005962915
_cell_length_a 5.90055
_cell_length_b 7.42777
_cell_length_c 8.11772
_cell_angle_alpha 117.22613
_cell_angle_beta 111.31138
_cell_angle_gamma 90.00000
_cell_volume 288.73420
_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
Rb1 Rb 0.85004 0.69584 0.70008 1.00000
Rb2 Rb 0.14996 0.30416 0.29992 1.00000
Rb3 Rb 0.64996 0.99576 0.29992 1.00000
Rb4 Rb 0.35004 0.00424 0.70008 1.00000
V1 V 0.75000 0.50000 0.00000 1.00000
V2 V 0.25000 0.50000 0.00000 1.00000
S1 S 0.40554 0.58276 0.81108 1.00000
S2 S 0.59446 0.41724 0.18892 1.00000
S3 S 0.09446 0.77168 0.18892 1.00000
S4 S 0.90554 0.22832 0.81108 1.00000
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