Cs2W(I2O7)2
Alexandria ALEXAlex-ID: agm020054748 · 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
AB2C4D14_78_spg15
Cs2I4O11 WO3
2025-02-01 06:53:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020054748).
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 agm020054748
data_agm020054748
_cell_length_a 7.29898
_cell_length_b 7.29898
_cell_length_c 17.87319
_cell_angle_alpha 77.70851
_cell_angle_beta 102.29149
_cell_angle_gamma 106.43813
_cell_volume 880.42324
_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 0.22208 0.34515 0.05664 1.00000
Cs2 Cs 0.34515 0.22208 0.44336 1.00000
Cs3 Cs 0.77792 0.65485 0.94336 1.00000
Cs4 Cs 0.65485 0.77792 0.55664 1.00000
W1 W 0.00195 0.00195 0.75000 1.00000
W2 W 0.99805 0.99805 0.25000 1.00000
I1 I 0.37591 0.00139 0.90901 1.00000
I2 I 0.00139 0.37591 0.59099 1.00000
I3 I 0.62409 0.99861 0.09099 1.00000
I4 I 0.99861 0.62409 0.40901 1.00000
I5 I 0.81714 0.51111 0.17870 1.00000
I6 I 0.51111 0.81714 0.32130 1.00000
I7 I 0.18286 0.48889 0.82130 1.00000
I8 I 0.48889 0.18286 0.67870 1.00000
O1 O 0.10569 0.97446 0.86351 1.00000
O2 O 0.97446 0.10569 0.63649 1.00000
O3 O 0.89431 0.02554 0.13649 1.00000
O4 O 0.02554 0.89431 0.36351 1.00000
O5 O 0.31124 0.97395 0.00591 1.00000
O6 O 0.97395 0.31124 0.49409 1.00000
O7 O 0.68876 0.02605 0.99409 1.00000
O8 O 0.02605 0.68876 0.50591 1.00000
O9 O 0.37406 0.75184 0.90749 1.00000
O10 O 0.75184 0.37406 0.59251 1.00000
O11 O 0.62594 0.24816 0.09251 1.00000
O12 O 0.24816 0.62594 0.40749 1.00000
O13 O 0.92883 0.68327 0.25174 1.00000
O14 O 0.68327 0.92883 0.24826 1.00000
O15 O 0.07117 0.31673 0.74826 1.00000
O16 O 0.31673 0.07117 0.75174 1.00000
O17 O 0.63071 0.62992 0.12027 1.00000
O18 O 0.62992 0.63071 0.37973 1.00000
O19 O 0.36929 0.37008 0.87973 1.00000
O20 O 0.37008 0.36929 0.62027 1.00000
O21 O 0.99904 0.58045 0.11717 1.00000
O22 O 0.58045 0.99904 0.38283 1.00000
O23 O 0.00096 0.41955 0.88283 1.00000
O24 O 0.41955 0.00096 0.61717 1.00000
O25 O 0.76250 0.98135 0.76518 1.00000
O26 O 0.98135 0.76250 0.73482 1.00000
O27 O 0.23750 0.01865 0.23482 1.00000
O28 O 0.01865 0.23750 0.26518 1.00000
