Rb2WF7
Alexandria ALEXAlex-ID: agm005845895 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_370_spg15
Rb2WF7
2023-07-26 01:14:51.903132
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005845895).
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 agm005845895
data_agm005845895
_cell_length_a 6.88959
_cell_length_b 7.83237
_cell_length_c 8.51763
_cell_angle_alpha 81.74569
_cell_angle_beta 66.14451
_cell_angle_gamma 63.90791
_cell_volume 377.19129
_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 0.56573 0.92919 0.73887 1.00000
Rb2 Rb 0.76621 0.42919 0.23887 1.00000
Rb3 Rb 0.23379 0.57081 0.76113 1.00000
Rb4 Rb 0.43427 0.07081 0.26113 1.00000
W1 W 0.93699 0.25000 0.75000 1.00000
W2 W 0.06300 0.75000 0.25000 1.00000
F1 F 0.77964 0.52899 0.79190 1.00000
F2 F 0.89946 0.02899 0.29190 1.00000
F3 F 0.24830 0.78684 0.01243 1.00000
F4 F 0.25777 0.24321 0.59699 1.00000
F5 F 0.64052 0.25000 0.75000 1.00000
F6 F 0.95242 0.28684 0.51243 1.00000
F7 F 0.09798 0.25679 0.90301 1.00000
F8 F 0.90202 0.74321 0.09699 1.00000
F9 F 0.04758 0.71316 0.48757 1.00000
F10 F 0.35948 0.75000 0.25000 1.00000
F11 F 0.74223 0.75679 0.40301 1.00000
F12 F 0.75170 0.21316 0.98757 1.00000
F13 F 0.10054 0.97101 0.70810 1.00000
F14 F 0.22036 0.47101 0.20810 1.00000
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