CsBi(WO4)2
Alexandria ALEXAlex-ID: agm004875129 · 空间群: R32 (#155)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_327_spg155
Bi2WO6 Cs2Bi(WO4)3 Cs(WO3)6 Cs2WO4
2023-01-06 07:30:01.253843
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875129).
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}
}
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# CIF generated by HEAS from Alexandria entry agm004875129
data_agm004875129
_cell_length_a 5.74725
_cell_length_b 5.74725
_cell_length_c 10.07973
_cell_angle_alpha 73.43581
_cell_angle_beta 73.43581
_cell_angle_gamma 60.00000
_cell_volume 272.26545
_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
Cs1 Cs 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.50000 0.50000 0.50000 1.00000
W1 W 0.76075 0.76075 0.71776 1.00000
W2 W 0.23925 0.23925 0.28224 1.00000
O1 O 0.69825 0.69825 0.90524 1.00000
O2 O 0.30175 0.30175 0.09476 1.00000
O3 O 0.49152 0.26854 0.34431 1.00000
O4 O 0.73146 0.50848 0.65569 1.00000
O5 O 0.10437 0.73146 0.65569 1.00000
O6 O 0.26854 0.89563 0.34431 1.00000
O7 O 0.89563 0.49152 0.34431 1.00000
O8 O 0.50848 0.10437 0.65569 1.00000
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